methyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C610-0337 |
| Compound Name: | methyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C17 H15 N5 O6 S |
| Smiles: | CN1C(c2c(nc(c3ccc(cc3)[N+]([O-])=O)nc2SCC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0984 |
| logD: | 3.0984 |
| logSw: | -3.4172 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.016 |
| InChI Key: | INYBAUBEMRQTRT-UHFFFAOYSA-N |