ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-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-(cyclohex-1-en-1-yl)ethyl]-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-(cyclohex-1-en-1-yl)ethyl]-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: | K285-0232 |
| Compound Name: | ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 579.66 |
| Molecular Formula: | C27 H28 F3 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCC3CCCCC=3)C(=Nc2s1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3622 |
| logD: | 6.3619 |
| logSw: | -5.6238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.747 |
| InChI Key: | PWQXHGUXPNWGLU-UHFFFAOYSA-N |