propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D518-0015 |
| Compound Name: | propyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | CCCOC(c1ccc(CSC2NC(C(C#N)=C(c3ccco3)N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3621 |
| logD: | 0.4282 |
| logSw: | -3.4713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.065 |
| InChI Key: | FDBTZPHLVCNZSM-UHFFFAOYSA-N |