N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-7631 |
| Compound Name: | N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C(C)C)NC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.153 |
| logD: | 4.1472 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.774 |
| InChI Key: | WQBQGJNFNYRQCH-NRFANRHFSA-N |