Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-
PubChem CID: 5351244
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| Compound Synonyms | 56401-88-8, NSC157389, Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-, Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-methylbutyl]amino]-, NSC154377, Pyridine, (E)-, CHEMBL2001157, SCHEMBL12830315, DTXSID80417692, FIDFDSHBKIWNIN-JLHYYAGUSA-N, NSC-154377, NSC-157389, PD011352, 4-[5-Diethylamino-2-pentylamino]-2-[4-chloro-.beta.-trans-styryl]pyridine, 58521-04-3 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C22H30ClN3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIDFDSHBKIWNIN-JLHYYAGUSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -4.692 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.298 |
| Compound Name | Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.213 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.213 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 371.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.963465661538462 |
| Inchi | InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+ |
| Smiles | CCN(CC)CCCC(C)NC1=CC(=NC=C1)/C=C/C2=CC=C(C=C2)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all