N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y042-6731 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(N[C@@H](CCSC)c1nc2ccccc2[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0302 |
| logD: | 3.0278 |
| logSw: | -3.5785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.266 |
| InChI Key: | QENMWMVAHKFVFL-IBGZPJMESA-N |