1-oxo-2-(propan-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
1-oxo-2-(propan-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
1-oxo-2-(propan-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5250 |
| Compound Name: | 1-oxo-2-(propan-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | CC(C)N1C=C(C(Nc2ccc(Cn3cncn3)cc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.744 |
| logD: | 1.7418 |
| logSw: | -2.5461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.426 |
| InChI Key: | HGZYIELOWSPCCH-UHFFFAOYSA-N |