benzyl {[2-(4-fluorophenyl)-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-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
benzyl {[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C610-0254 |
| Compound Name: | benzyl {[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C23 H19 F N4 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)F)nc2SCC(=O)OCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0624 |
| logD: | 5.0624 |
| logSw: | -5.0565 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.318 |
| InChI Key: | NPVOESVFPMEIDC-UHFFFAOYSA-N |