2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | D285-0244 |
Compound Name: | 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
Molecular Weight: | 390.46 |
Molecular Formula: | C21 H18 N4 O2 S |
Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1cccc(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6087 |
logD: | 0.0557 |
logSw: | -3.7225 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.588 |
InChI Key: | LAOFHCIGCREPPH-UHFFFAOYSA-N |