2-chloro-5-[3-(2,4-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-(2,4-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(2,4-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8018-6251 |
| Compound Name: | 2-chloro-5-[3-(2,4-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 400.67 |
| Molecular Formula: | C15 H8 Cl3 N3 O2 S |
| Smiles: | c1cc(c(cc1n1c(c2ccc(cc2[Cl])[Cl])nnc1S)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4161 |
| logD: | -1.1336 |
| logSw: | -4.5942 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.866 |
| InChI Key: | AYWBGBSLKQCJLB-UHFFFAOYSA-N |