N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D490-0936 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 461.32 |
| Molecular Formula: | C20 H14 Cl2 N4 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9307 |
| logD: | 0.3777 |
| logSw: | -4.474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.218 |
| InChI Key: | GRVUDEJFCXAUOB-UHFFFAOYSA-N |