1-oxo-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
1-oxo-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}-1,2-dihydroisoquinoline-4-carboxamide
1-oxo-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-7540 |
| Compound Name: | 1-oxo-N-{2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC(C)n1c2ccccc2nc1CCNC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5386 |
| logD: | 2.5281 |
| logSw: | -2.9568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.24 |
| InChI Key: | YQJZKHHTCMMQCB-UHFFFAOYSA-N |