2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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: | C610-0488 |
| Compound Name: | 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C18 H17 N7 O3 S3 |
| Smiles: | CCc1nnc(NC(CSc2c3C(N(C)C(N(C)c3nc(c3cccs3)n2)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5339 |
| logD: | 3.4902 |
| logSw: | -3.8455 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.992 |
| InChI Key: | CSUSGCXVYQCNOY-UHFFFAOYSA-N |