3-phenyl-4-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
Chemical Structure Depiction of
3-phenyl-4-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
3-phenyl-4-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
Compound characteristics
| Compound ID: | 8015-6579 |
| Compound Name: | 3-phenyl-4-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C16 H15 N5 O2 S |
| Smiles: | C(C(Cn1c(c2cnccn2)nnc1S)c1ccccc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8668 |
| logD: | -1.6856 |
| logSw: | -0.8256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.664 |
| InChI Key: | VTKFMHPLAGRKGW-LBPRGKRZSA-N |