N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4450 |
| Compound Name: | N-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 390.32 |
| Molecular Formula: | C18 H13 F3 N4 O3 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)n1cnc(NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3825 |
| logD: | 3.3654 |
| logSw: | -3.752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.667 |
| InChI Key: | MSSHIEHJILQGQN-UHFFFAOYSA-N |