(E)-N-[2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
PubChem CID: 101059289
Connections displayed (default: 10).
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| Topological Polar Surface Area | 90.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H25NO5S |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPQKZLMPABOCHA-FMIVXFBMSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -3.453 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.347 |
| Compound Name | (E)-N-[2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 367.145 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.145 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 367.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4532954 |
| Inchi | InChI=1S/C18H25NO5S/c1-14(2)8-11-24-16-6-5-15(13-17(16)23-3)7-10-19-18(20)9-12-25(4,21)22/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,19,20)/b12-9+ |
| Smiles | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)/C=C/S(=O)(=O)C)OC)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Chlorosperma (Plant) Rel Props:Source_db:cmaup_ingredients