methyl 4-(2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-4842 |
| Compound Name: | methyl 4-(2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 375.33 |
| Molecular Formula: | C13 H12 F3 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(C(F)(F)F)n1N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.625 |
| logD: | 1.6249 |
| logSw: | -2.3223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.734 |
| InChI Key: | XWCWCFHSTRXQML-UHFFFAOYSA-N |