N-(3-{5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-{5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-{5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-6221 |
| Compound Name: | N-(3-{5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 552.56 |
| Molecular Formula: | C31 H25 F N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCOc2nc(c3ccccc3F)n(c3cccc(c3)NC(c3ccc4c(c3)OCO4)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5362 |
| logD: | 6.5362 |
| logSw: | -5.7041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.587 |
| InChI Key: | YQHASPCEEUBMLF-UHFFFAOYSA-N |