2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
Compound ID: | D285-0207 |
Compound Name: | 2-(benzylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
Molecular Weight: | 333.41 |
Molecular Formula: | C19 H15 N3 O S |
Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.5733 |
logD: | 0.2437 |
logSw: | -3.7703 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.438 |
InChI Key: | ZHQZOOCDVUROGZ-UHFFFAOYSA-N |