benzyl {[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
benzyl {[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C610-0421 |
| Compound Name: | benzyl {[2-(furan-2-yl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | CN1C(c2c(nc(c3ccco3)nc2SCC(=O)OCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6523 |
| logD: | 3.6523 |
| logSw: | -4.1124 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.896 |
| InChI Key: | VJKVIJMYHRKEJN-UHFFFAOYSA-N |