4-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0211 |
| Compound Name: | 4-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C20 H17 N3 O S |
| Smiles: | Cc1ccc(CSC2NC(C(C#N)=C(c3ccc(C)cc3)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9967 |
| logD: | 0.6671 |
| logSw: | -4.0195 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | OYARKGAEKJBNFQ-UHFFFAOYSA-N |