({5-(1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-(1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-(1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | Y507-0047 |
| Compound Name: | ({5-(1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C14 H19 N5 O3 S |
| Smiles: | CCn1ccc(c2nnc(n2CC2CCCO2)SCC(O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1289 |
| logD: | -3.1636 |
| logSw: | -1.6192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.664 |
| InChI Key: | MNJRTOWCIXKMJN-SNVBAGLBSA-N |