N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D490-0926 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C20 H14 Cl2 N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2275 |
| logD: | 0.6745 |
| logSw: | -4.4717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.89 |
| InChI Key: | YSUWODDHSSPHAV-UHFFFAOYSA-N |