N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-4981 |
| Compound Name: | N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC[C@H](C)[C@@H](c1nc2ccccc2[nH]1)NC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4807 |
| logD: | 3.4748 |
| logSw: | -3.8456 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.79 |
| InChI Key: | VWRRLQXNNDWGFI-DJJJIMSYSA-N |