5-[3-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
Chemical Structure Depiction of
5-[3-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
5-[3-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8018-6063 |
| Compound Name: | 5-[3-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid |
| Molecular Weight: | 375.79 |
| Molecular Formula: | C16 H10 Cl N3 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccc(c(c1)C(O)=O)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 3.3848 |
| logD: | -2.165 |
| logSw: | -3.8414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.981 |
| InChI Key: | OMXKUPXCFDLPII-UHFFFAOYSA-N |