2-{[(2-cyanophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[(2-cyanophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[(2-cyanophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8011-8738 |
| Compound Name: | 2-{[(2-cyanophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C20 H14 N4 O2 S |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2123 |
| logD: | -0.1173 |
| logSw: | -3.6591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.038 |
| InChI Key: | YZPOWLSLVBRRLE-UHFFFAOYSA-N |