N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | D490-0971 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 459.35 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 S |
| Smiles: | CC(C(Nc1cc(ccc1C)[Cl])=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7291 |
| logD: | 1.623 |
| logSw: | -4.862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.103 |
| InChI Key: | ATLDHJZBWWNWOD-LBPRGKRZSA-N |