N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V021-4993 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C25 H22 N4 O5 |
| Smiles: | CCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2ccc(cc2)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0591 |
| logD: | 5.059 |
| logSw: | -4.6583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.564 |
| InChI Key: | XVRYQJPBRIOTPD-UHFFFAOYSA-N |