N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-7339 |
| Compound Name: | N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cn1c2ccccc2nc1[C@H](CCSC)NC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9675 |
| logD: | 2.9617 |
| logSw: | -3.6013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.787 |
| InChI Key: | CRXWKVDZFFDSTG-SFHVURJKSA-N |