ethyl {[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
ethyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
ethyl {[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: | C610-0338 |
| Compound Name: | ethyl {[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C18 H17 N5 O6 S |
| Smiles: | CCOC(CSc1c2C(N(C)C(N(C)c2nc(c2ccc(cc2)[N+]([O-])=O)n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6896 |
| logD: | 3.6896 |
| logSw: | -4.1839 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.596 |
| InChI Key: | YXIHHDMXYIXUGT-UHFFFAOYSA-N |