N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-4427 |
| Compound Name: | N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C20 H17 N5 O3 |
| Smiles: | CN1C=C(C(Nc2nc(c3ccccc3OC)[nH]n2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7628 |
| logD: | 1.7287 |
| logSw: | -2.4469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.828 |
| InChI Key: | YNKVMZUQGOOZAJ-UHFFFAOYSA-N |