2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C280-1073 |
| Compound Name: | 2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 495.52 |
| Molecular Formula: | C22 H17 F4 N3 O2 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(Nc2cccc(c2)C(F)(F)F)=O)c2ccc(cc2)F)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7381 |
| logD: | 4.7379 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.646 |
| InChI Key: | FUQPOLIMDSHSBD-LBPRGKRZSA-N |