2-methyl-1-oxo-3-phenyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-methyl-1-oxo-3-phenyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-methyl-1-oxo-3-phenyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-0982 |
| Compound Name: | 2-methyl-1-oxo-3-phenyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C26 H23 N5 O2 |
| Smiles: | CN1C(C(C(Nc2ccc(Cn3cncn3)cc2)=O)c2ccccc2C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5217 |
| logD: | 2.5216 |
| logSw: | -3.0862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.756 |
| InChI Key: | ZBOFSXWQFDNKRP-UHFFFAOYSA-N |