ethyl 5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K685-0055 |
| Compound Name: | ethyl 5-methyl-4-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 396.39 |
| Molecular Formula: | C18 H15 F3 N2 O3 S |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)C(F)(F)F)C=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6701 |
| logD: | 3.6701 |
| logSw: | -4.0696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.995 |
| InChI Key: | XNFZFOQMEDEVCC-UHFFFAOYSA-N |