ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V003-4665 |
| Compound Name: | ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 567.75 |
| Molecular Formula: | C30 H41 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(cc(n2)N2CCN(CC2)C(C)=O)C(C)(C)C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6682 |
| logD: | 4.6675 |
| logSw: | -4.5101 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.707 |
| InChI Key: | JOHUXRLQWPEMIX-DEOSSOPVSA-N |