4-(2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | Y900-0067 |
| Compound Name: | 4-(2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C19 H17 Cl N4 O3 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | 1.88 |
| logSw: | -4.73 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 179.31 |
| InChI Key: | SUJLNAVPBTWFTG-UHFFFAOYSA-N |