2-(3-methylbutyl)-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methylbutyl)-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methylbutyl)-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5292 |
| Compound Name: | 2-(3-methylbutyl)-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | CC(C)CCN1C=C(C(Nc2ccc(Cn3cncn3)cc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7419 |
| logD: | 2.7397 |
| logSw: | -3.4848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.518 |
| InChI Key: | QLUNYNQGLSTEJN-UHFFFAOYSA-N |