N-(3-chloro-4-pyridyl)-2-(1-pentoxyindol-3-yl)acetamide
PubChem CID: 141490357
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| Compound Synonyms | CHEMBL4788219, N-(3-chloro-4-pyridyl)-2-(1-pentoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3-chloropyridin-4-yl)-2-(1-pentoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C20H22ClN3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMJDZQLLLXPRGH-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.331 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.534 |
| Compound Name | N-(3-chloro-4-pyridyl)-2-(1-pentoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.14 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.14 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 371.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8749046769230775 |
| Inchi | InChI=1S/C20H22ClN3O2/c1-2-3-6-11-26-24-14-15(16-7-4-5-8-19(16)24)12-20(25)23-18-9-10-22-13-17(18)21/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,22,23,25) |
| Smiles | CCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=C(C=NC=C3)Cl |
| 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