N-{[1-(2-methylpropyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{[1-(2-methylpropyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{[1-(2-methylpropyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-6907 |
| Compound Name: | N-{[1-(2-methylpropyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC(C)Cn1c2ccccc2nc1CNC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3317 |
| logD: | 3.3259 |
| logSw: | -3.8531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.323 |
| InChI Key: | DJYZKTHKSPDCCW-UHFFFAOYSA-N |