N-(3-chloro-4-methoxyphenyl)-2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D285-0249 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1ccc(c(c1)[Cl])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7594 |
| logD: | 0.2064 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.218 |
| InChI Key: | DXPZJIWTGIHTJO-UHFFFAOYSA-N |