2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D432-0185 |
| Compound Name: | 2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | CC(C(O)=O)Sc1nnc(c2ccco2)n1Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5098 |
| logD: | -0.5453 |
| logSw: | -2.4206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.227 |
| InChI Key: | KTLQXZJZJDJPGX-NSHDSACASA-N |