2-chloro-5-[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8018-6250 |
| Compound Name: | 2-chloro-5-[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 321.74 |
| Molecular Formula: | C13 H8 Cl N3 O3 S |
| Smiles: | c1cc(c2nnc(n2c2ccc(c(c2)C(O)=O)[Cl])S)oc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4136 |
| logD: | -3.1361 |
| logSw: | -2.9661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.444 |
| InChI Key: | DLDUUOWBYDGZIO-UHFFFAOYSA-N |