2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8017-7441 |
| Compound Name: | 2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 333.75 |
| Molecular Formula: | C13 H8 Cl N5 O2 S |
| Smiles: | c1cc(c(cc1n1c(c2cnccn2)nnc1S)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4552 |
| logD: | -4.0946 |
| logSw: | -2.4527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.432 |
| InChI Key: | GKZKDRQJWQJTRL-UHFFFAOYSA-N |