4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
Chemical Structure Depiction of
4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
Compound characteristics
| Compound ID: | 7832-0219 |
| Compound Name: | 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C16 H16 N4 O2 S2 |
| Smiles: | CSCCC(C(O)=O)n1c(c2ccc3ccccc3n2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0376 |
| logD: | -1.2538 |
| logSw: | -2.5122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.005 |
| InChI Key: | ZNLBRKMAEMAUEZ-ZDUSSCGKSA-N |