N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | D490-0925 |
Compound Name: | N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 431.3 |
Molecular Formula: | C19 H12 Cl2 N4 O2 S |
Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.0148 |
logD: | 0.4618 |
logSw: | -4.5807 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.588 |
InChI Key: | LLJNPURKRDSUGG-UHFFFAOYSA-N |