methyl 4-(2-{[4-{[(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-{[(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-{[(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-2836 |
| Compound Name: | methyl 4-(2-{[4-{[(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 542.33 |
| Molecular Formula: | C20 H15 Br F3 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4294 |
| logD: | 4.4293 |
| logSw: | -4.2888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.928 |
| InChI Key: | HYSNCUVCMFNEGG-UHFFFAOYSA-N |