N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | Y042-6770 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(c1ccc2c(c1)NC(CO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1989 |
| logD: | 2.1987 |
| logSw: | -2.937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.843 |
| InChI Key: | YBBUGPLENZRKSQ-HNNXBMFYSA-N |