2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0027 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C19 H15 N3 O S |
| Smiles: | Cc1cccc(CSC2NC(C(C#N)=C(c3ccccc3)N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.969 |
| logD: | 0.6394 |
| logSw: | -4.0408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.438 |
| InChI Key: | OKTSDFDCEJTKKB-UHFFFAOYSA-N |