N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-6657 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(C1=CN(C)C(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6281 |
| logD: | 2.6278 |
| logSw: | -3.2628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.243 |
| InChI Key: | KGPVHBBNHABQIE-IBGZPJMESA-N |