ethyl 1-{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-6282 |
| Compound Name: | ethyl 1-{4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 613.82 |
| Molecular Formula: | C35 H43 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)C/C=C/c2ccccc2)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7596 |
| logD: | 5.6946 |
| logSw: | -5.4294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.077 |
| InChI Key: | JUDOYJRKFIVWBY-HKBQPEDESA-N |