ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D623-0036 |
| Compound Name: | ethyl 4-({[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | CCOC(c1ccc(CSC2NC(C(C#N)=C(c3ccco3)N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8504 |
| logD: | -0.0836 |
| logSw: | -3.2626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.771 |
| InChI Key: | JNTVNRLJLTVICK-UHFFFAOYSA-N |