propyl 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
propyl 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
propyl 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | D623-0026 |
| Compound Name: | propyl 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | CCCOC(C(C)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8944 |
| logD: | 0.7883 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.758 |
| InChI Key: | CEVSTTJNVOTQJZ-JTQLQIEISA-N |