ethyl 3-benzyl-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-benzyl-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0052 |
| Compound Name: | ethyl 3-benzyl-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 534.58 |
| Molecular Formula: | C25 H21 F3 N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3)C(=Nc2s1)SCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4796 |
| logD: | 6.4796 |
| logSw: | -5.7864 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.364 |
| InChI Key: | MVINYAHJBXGJMV-UHFFFAOYSA-N |