N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-6724 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(C1=CC(Nc2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9285 |
| logD: | 2.9284 |
| logSw: | -3.7553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.394 |
| InChI Key: | ITYMRZCKQCMQDB-SFHVURJKSA-N |