2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D623-0001 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 335.77 |
| Molecular Formula: | C14 H10 Cl N3 O3 S |
| Smiles: | CC(C(O)=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1081 |
| logD: | -0.998 |
| logSw: | -3.1308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.118 |
| InChI Key: | FGDVFACPAXCSFV-ZETCQYMHSA-N |