methyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C610-0508 |
| Compound Name: | methyl {[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C15 H14 N4 O4 S2 |
| Smiles: | CN1C(c2c(nc(c3cccs3)nc2SCC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5626 |
| logD: | 2.5626 |
| logSw: | -2.6056 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.653 |
| InChI Key: | XKKDKJZEXJTNTP-UHFFFAOYSA-N |