N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | Y042-7340 |
| Compound Name: | N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cn1c2ccccc2nc1[C@H](CCSC)NC(CN1C(C=C2CCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4187 |
| logD: | 2.3992 |
| logSw: | -2.7181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.345 |
| InChI Key: | ZRADKWXRKADSHY-SFHVURJKSA-N |