N-(2-chlorophenyl)-2-(1-heptoxyindol-3-yl)acetamide
PubChem CID: 141490252
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| Compound Synonyms | CHEMBL4784657, N-(2-chlorophenyl)-2-(1-heptoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-heptoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C23H27ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKNDIPJUXQNRHO-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -6.842 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.741 |
| Compound Name | N-(2-chlorophenyl)-2-(1-heptoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 398.176 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.176 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 398.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.592119371428572 |
| Inchi | InChI=1S/C23H27ClN2O2/c1-2-3-4-5-10-15-28-26-17-18(19-11-6-9-14-22(19)26)16-23(27)25-21-13-8-7-12-20(21)24/h6-9,11-14,17H,2-5,10,15-16H2,1H3,(H,25,27) |
| Smiles | CCCCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients