3-{[(2-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3-{[(2-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
3-{[(2-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 8012-9484 |
| Compound Name: | 3-{[(2-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 353.16 |
| Molecular Formula: | C10 H8 Br F3 N4 S |
| Smiles: | C(c1ccccc1[Br])Sc1nnc(C(F)(F)F)n1N |
| Stereo: | ACHIRAL |
| logP: | 2.9206 |
| logD: | 2.9206 |
| logSw: | -3.0309 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.411 |
| InChI Key: | DALXFJNRSRUEAY-UHFFFAOYSA-N |