ethyl 1-{3-[({4-[benzyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[benzyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{3-[({4-[benzyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V015-5341 |
| Compound Name: | ethyl 1-{3-[({4-[benzyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 532.71 |
| Molecular Formula: | C30 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(C)c(C)c(n2)N(C)Cc2ccccc2)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3766 |
| logD: | 5.2088 |
| logSw: | -5.2164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.06 |
| InChI Key: | GKQQZHRSZQZUJY-SANMLTNESA-N |