ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-1888 |
| Compound Name: | ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C30 H36 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(COC)cc(n2)N(C)Cc2ccccc2)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8442 |
| logD: | 4.8204 |
| logSw: | -4.6542 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.933 |
| InChI Key: | BTUONAKLRSROPZ-VWLOTQADSA-N |