methyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
methyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D518-0204 |
| Compound Name: | methyl {[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 291.28 |
| Molecular Formula: | C12 H9 N3 O4 S |
| Smiles: | COC(CSC1NC(C(C#N)=C(c2ccco2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5445 |
| logD: | -2.6127 |
| logSw: | -2.091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.867 |
| InChI Key: | VCUWLIIZFDHSFH-UHFFFAOYSA-N |