2-{[3-(4-methylphenoxy)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-methylphenoxy)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[3-(4-methylphenoxy)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0206 |
| Compound Name: | 2-{[3-(4-methylphenoxy)propyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9439 |
| logD: | 1.3755 |
| logSw: | -4.4775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | IOYKBCBEUPKZAX-UHFFFAOYSA-N |