ethyl 5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0424 |
| Compound Name: | ethyl 5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C23 H23 F3 N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9223 |
| logD: | 4.9223 |
| logSw: | -4.6889 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.018 |
| InChI Key: | KSAXNSBGNAQGDD-MRXNPFEDSA-N |