4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | F988-0727 |
| Compound Name: | 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 465.84 |
| Molecular Formula: | C19 H11 Cl F3 N5 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1csc(c2c(N)n(c3cc(ccc3[Cl])C(F)(F)F)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1235 |
| logD: | 5.1235 |
| logSw: | -5.8603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.609 |
| InChI Key: | WXAGPYRHLGGPRE-UHFFFAOYSA-N |