N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
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)-3-nitrobenzamide
N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-0060 |
| Compound Name: | N-(4-{5-(2H-1,3-benzodioxol-5-yl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C25 H21 N5 O6 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3297 |
| logD: | 5.3285 |
| logSw: | -5.4316 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.081 |
| InChI Key: | WAAQDVFGUBTRKB-UHFFFAOYSA-N |