2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | D178-0153 |
| Compound Name: | 2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C15 H19 N3 O3 S |
| Smiles: | CCOc1ccc(Cc2nnc(n2C)SC(C)C(O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7835 |
| logD: | -1.2715 |
| logSw: | -2.3573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.83 |
| InChI Key: | NFHPACKKLRDARR-JTQLQIEISA-N |