2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-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-5,7-dioxo-2-phenyl-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-5,7-dioxo-2-phenyl-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: | G786-1751 |
| Compound Name: | 2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C20 H19 N7 O3 S2 |
| Smiles: | CCc1nnc(NC(CSc2c3C(N(C)C(N(C)c3nc(c3ccccc3)n2)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.039 |
| logD: | 3.9953 |
| logSw: | -4.1276 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.974 |
| InChI Key: | OJCSHQVJSXGHHI-UHFFFAOYSA-N |