2-(4-acetyl-5-methyl-3-oxo-1H-3lambda~5~-imidazol-1-yl)-4-(methylsulfanyl)butanoic acid
Chemical Structure Depiction of
2-(4-acetyl-5-methyl-3-oxo-1H-3lambda~5~-imidazol-1-yl)-4-(methylsulfanyl)butanoic acid
2-(4-acetyl-5-methyl-3-oxo-1H-3lambda~5~-imidazol-1-yl)-4-(methylsulfanyl)butanoic acid
Compound characteristics
| Compound ID: | 8020-8012 |
| Compound Name: | 2-(4-acetyl-5-methyl-3-oxo-1H-3lambda~5~-imidazol-1-yl)-4-(methylsulfanyl)butanoic acid |
| Molecular Weight: | 272.32 |
| Molecular Formula: | C11 H16 N2 O4 S |
| Smiles: | CC(c1c(C)n(c[n+]1[O-])C(CCSC)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1133 |
| logD: | -3.6769 |
| logSw: | -1.0395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.829 |
| InChI Key: | RMPVOWMHLZLHCQ-VIFPVBQESA-N |