N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V012-8302 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 4.615 |
| logSw: | -4.4464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.984 |
| InChI Key: | ARLLKCHGELUOPY-UHFFFAOYSA-N |