2-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid
2-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 4644-0131 |
| Compound Name: | 2-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 285.41 |
| Molecular Formula: | C13 H23 N3 O2 S |
| Smiles: | CCCCCCCCc1nc([nH]n1)SC(C)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7238 |
| logD: | 0.6687 |
| logSw: | -3.6322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.416 |
| InChI Key: | OTTGZMFFWIHQPC-JTQLQIEISA-N |