N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-4539 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC(C)C[C@@H](c1nc2ccccc2[nH]1)NC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3777 |
| logD: | 3.3719 |
| logSw: | -3.8992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.068 |
| InChI Key: | XQNOVWPUMHUKJC-IBGZPJMESA-N |