2-[(2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-[(2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
2-[(2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | G786-1693 |
| Compound Name: | 2-[(2-ethyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C19 H18 F3 N5 O4 S |
| Smiles: | CCc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0693 |
| logD: | 4.0693 |
| logSw: | -4.2217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.132 |
| InChI Key: | UOAARQHMKAQLHM-UHFFFAOYSA-N |