N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | V027-9265 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C24 H20 N4 O4 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0561 |
| logD: | 5.056 |
| logSw: | -4.7108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.441 |
| InChI Key: | QOUGGOAMIUEFKV-UHFFFAOYSA-N |