2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D432-0135 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | CC(C(O)=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1823 |
| logD: | -0.8728 |
| logSw: | -2.3427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.971 |
| InChI Key: | SOVHQWURWBWHFZ-JTQLQIEISA-N |