ethyl [(3-benzyl-5-methyl-4-oxo-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-benzyl-5-methyl-4-oxo-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
ethyl [(3-benzyl-5-methyl-4-oxo-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | A0016695 |
| Compound Name: | ethyl [(3-benzyl-5-methyl-4-oxo-6-{[2-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 561.6 |
| Molecular Formula: | C26 H22 F3 N3 O4 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1Cc1ccccc1)=O)c(C)c(C(Nc1ccccc1C(F)(F)F)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5309 |
| logD: | 5.5294 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.497 |
| InChI Key: | QIZLUWFIAZUIHA-UHFFFAOYSA-N |