N-{1-[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-yl}-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-{1-[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-yl}-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
N-{1-[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-yl}-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D296-0006 |
| Compound Name: | N-{1-[(2H-1,3-benzodioxol-5-yl)oxy]propan-2-yl}-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C20 H20 N4 O5 |
| Smiles: | CC(COc1ccc2c(c1)OCO2)NC(c1cn(c2ccc(cc2)OC)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6135 |
| logD: | 2.6135 |
| logSw: | -3.0951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.617 |
| InChI Key: | QWESFYUYLAKTHS-ZDUSSCGKSA-N |