2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C242-1095 |
| Compound Name: | 2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 481.49 |
| Molecular Formula: | C22 H22 F3 N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(CC(NCC3CCCO3)=O)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8948 |
| logD: | 2.8948 |
| logSw: | -3.4289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.233 |
| InChI Key: | GUXAGLMFCOBWBD-MRXNPFEDSA-N |