N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D490-0935 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.29 |
| Molecular Formula: | C19 H11 Cl2 F N4 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1503 |
| logD: | 0.5973 |
| logSw: | -4.5325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | FLNKEBHUYOZBHR-UHFFFAOYSA-N |