2-chloro-5-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8017-3252 |
| Compound Name: | 2-chloro-5-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 382.83 |
| Molecular Formula: | C18 H11 Cl N4 O2 S |
| Smiles: | c1ccc2c(c1)ccc(c1nnc(n1c1ccc(c(c1)C(O)=O)[Cl])S)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7136 |
| logD: | -1.8361 |
| logSw: | -3.9857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.197 |
| InChI Key: | ZDZHOSSQYHMSGJ-UHFFFAOYSA-N |