ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V027-8341 |
| Compound Name: | ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 572.77 |
| Molecular Formula: | C33 H40 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(cc(n2)N(C)C2CCCCC2)c2ccccc2)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7775 |
| logD: | 6.7772 |
| logSw: | -5.5021 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.794 |
| InChI Key: | MZAUGKDJNOKPLQ-MHZLTWQESA-N |