2-chloro-5-{3-[(3,5-difluorophenyl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{3-[(3,5-difluorophenyl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid
2-chloro-5-{3-[(3,5-difluorophenyl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid
Compound characteristics
| Compound ID: | 8020-0937 |
| Compound Name: | 2-chloro-5-{3-[(3,5-difluorophenyl)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid |
| Molecular Weight: | 381.79 |
| Molecular Formula: | C16 H10 Cl F2 N3 O2 S |
| Smiles: | C(c1cc(cc(c1)F)F)c1nnc(n1c1ccc(c(c1)C(O)=O)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 3.4466 |
| logD: | -2.1032 |
| logSw: | -3.6906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.842 |
| InChI Key: | BOSWDQRBEIQURG-UHFFFAOYSA-N |