2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoic acid
Chemical Structure Depiction of
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoic acid
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoic acid
Compound characteristics
| Compound ID: | D058-0091 |
| Compound Name: | 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoic acid |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | CCC(C(O)=O)SC1NC(C(Cc2ccccc2)=C(C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3315 |
| logD: | 0.0183 |
| logSw: | -2.7372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.561 |
| InChI Key: | HDXVIKANZQATQE-ZDUSSCGKSA-N |