N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-4-methylbenzamide
N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V005-8960 |
| Compound Name: | N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-4-methylbenzamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C26 H24 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2ccc(C)cc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8072 |
| logD: | 5.8071 |
| logSw: | -5.4408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.699 |
| InChI Key: | KIGGFRXJMFQCHD-UHFFFAOYSA-N |