4-{[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzonitrile
4-{[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | Y509-3364 |
| Compound Name: | 4-{[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 285.37 |
| Molecular Formula: | C15 H15 N3 O S |
| Smiles: | CCCC1=CC(NC(=N1)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4442 |
| logD: | 1.9083 |
| logSw: | -2.7037 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.963 |
| InChI Key: | QOOTUDDHUBMRLN-UHFFFAOYSA-N |