N-(3-chloro-4-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
N-(3-chloro-4-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | D490-0972 |
| Compound Name: | N-(3-chloro-4-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(Nc1ccc(C)c(c1)[Cl])=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3635 |
| logD: | 2.2575 |
| logSw: | -6.0493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.801 |
| InChI Key: | QZXLABFQFVQTSW-LBPRGKRZSA-N |