2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C610-0326 |
| Compound Name: | 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C20 H18 N8 O5 S2 |
| Smiles: | CCc1nnc(NC(CSc2c3C(N(C)C(N(C)c3nc(c3ccc(cc3)[N+]([O-])=O)n2)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0698 |
| logD: | 4.0261 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.355 |
| InChI Key: | XCIUXTTWNKKRHQ-UHFFFAOYSA-N |