ethyl 1-[4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V004-1055 |
| Compound Name: | ethyl 1-[4-({[4-(4-acetylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C28 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)C(C)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2877 |
| logD: | 3.286 |
| logSw: | -3.1853 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.754 |
| InChI Key: | QMBLBUTTZSROLZ-DEOSSOPVSA-N |