4-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
4-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0258 |
| Compound Name: | 4-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C20 H15 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2709 |
| logD: | -0.1345 |
| logSw: | -3.5519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.685 |
| InChI Key: | VRWYEUPWCJGLQT-UHFFFAOYSA-N |