3-(4-methoxyphenyl)-2-methyl-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0420 |
| Compound Name: | 3-(4-methoxyphenyl)-2-methyl-1-oxo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 467.53 |
| Molecular Formula: | C27 H25 N5 O3 |
| Smiles: | CN1C(C(C(Nc2ccc(Cn3cncn3)cc2)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4998 |
| logD: | 2.4997 |
| logSw: | -2.9348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.3 |
| InChI Key: | CREXYQHQGLNEEU-UHFFFAOYSA-N |