ethyl 1-{5-[({4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{5-[({4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate
ethyl 1-{5-[({4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V027-9055 |
| Compound Name: | ethyl 1-{5-[({4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C26 H33 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(cc(n2)N(C)C2CCCCC2)C(F)(F)F)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8216 |
| logD: | 5.8216 |
| logSw: | -5.2879 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.907 |
| InChI Key: | TUBFXLWAUJOMLR-KRWDZBQOSA-N |