N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-4428 |
| Compound Name: | N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CC(C)N1C=C(C(Nc2nc(c3ccccc3OC)[nH]n2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6971 |
| logD: | 2.663 |
| logSw: | -3.5222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.999 |
| InChI Key: | FURUVMWCVKXFQX-UHFFFAOYSA-N |