ethyl 1-[4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V028-1805 |
| Compound Name: | ethyl 1-[4-({[4-tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 539.74 |
| Molecular Formula: | C29 H41 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(C)CC2)C(C)(C)C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6001 |
| logD: | 4.0301 |
| logSw: | -4.3579 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.055 |
| InChI Key: | QHOHLECNYRLUJN-UHFFFAOYSA-N |