2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8018-6254 |
| Compound Name: | 2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 363.78 |
| Molecular Formula: | C15 H10 Cl N3 O4 S |
| Smiles: | c1cc(c(cc1n1c(c2ccc(cc2O)O)nnc1S)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7856 |
| logD: | -2.7641 |
| logSw: | -3.1607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 86.031 |
| InChI Key: | XBLDYWOQRSMHEI-UHFFFAOYSA-N |