ethyl {[5-methyl-4-oxo-3-(2-phenylethyl)-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-methyl-4-oxo-3-(2-phenylethyl)-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[5-methyl-4-oxo-3-(2-phenylethyl)-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | A0016895 |
| Compound Name: | ethyl {[5-methyl-4-oxo-3-(2-phenylethyl)-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 575.63 |
| Molecular Formula: | C27 H24 F3 N3 O4 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1CCc1ccccc1)=O)c(C)c(C(Nc1ccccc1C(F)(F)F)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.63 |
| logD: | 5.6285 |
| logSw: | -5.4552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.475 |
| InChI Key: | KFWHAZJXRLNTCI-UHFFFAOYSA-N |