5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-4-carboxamide
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | H024-0080 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.33 |
| Molecular Formula: | C18 H14 F3 N5 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C(Nc2ccc(cc2)OC(F)(F)F)=O)n[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4883 |
| logD: | 3.3516 |
| logSw: | -3.7557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.93 |
| InChI Key: | BSYNAZJBFYROSL-UHFFFAOYSA-N |