2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0204 |
| Compound Name: | 2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3714 |
| logD: | 0.803 |
| logSw: | -4.1655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | DLRASYMSRKMGOT-UHFFFAOYSA-N |