ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0388 |
| Compound Name: | ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 596.05 |
| Molecular Formula: | C26 H21 Cl F3 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccccc3[Cl])C(=Nc2s1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4909 |
| logD: | 6.4907 |
| logSw: | -6.2659 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.576 |
| InChI Key: | BKBHUVAHXNCCLE-UHFFFAOYSA-N |