methyl {[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
methyl {[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[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: | C610-0248 |
| Compound Name: | methyl {[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C17 H15 F N4 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)F)nc2SCC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2019 |
| logD: | 3.2019 |
| logSw: | -3.4329 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.634 |
| InChI Key: | JKHQTKIROCQRRN-UHFFFAOYSA-N |