2-{[6,8-dimethyl-2-(4-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[6,8-dimethyl-2-(4-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[6,8-dimethyl-2-(4-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | G786-1841 |
| Compound Name: | 2-{[6,8-dimethyl-2-(4-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C21 H20 N6 O4 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(Nc1cc(C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3505 |
| logD: | 4.3333 |
| logSw: | -4.3897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.729 |
| InChI Key: | BMLWQDLTWDMAKH-UHFFFAOYSA-N |