4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0259 |
| Compound Name: | 4-(4-methylphenyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7994 |
| logD: | 0.3939 |
| logSw: | -3.9793 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.685 |
| InChI Key: | HNDABDMLYQYKCK-UHFFFAOYSA-N |