2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D490-0634 |
| Compound Name: | 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | CC(C(O)=O)SC1NC(C(C#N)=C(c2ccc(C)cc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9367 |
| logD: | -1.1693 |
| logSw: | -2.5137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.118 |
| InChI Key: | OCHFHDDANFLLGX-VIFPVBQESA-N |