2-{[(2-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[(2-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0026 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C19 H15 N3 O S |
| Smiles: | Cc1ccccc1CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1226 |
| logD: | 0.793 |
| logSw: | -4.1048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | SWXUWPBIHGFQCK-UHFFFAOYSA-N |