2-methyl-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
2-methyl-N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-methyl-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: | Y042-7621 |
| Compound Name: | 2-methyl-N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C25 H28 N4 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C(C)C)NC(C1=CN(C)C(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7475 |
| logD: | 3.746 |
| logSw: | -4.018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.228 |
| InChI Key: | PUQRDFNMEJLLRU-QFIPXVFZSA-N |