ethyl 1-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V028-0582 |
| Compound Name: | ethyl 1-[4-({[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 553.77 |
| Molecular Formula: | C30 H43 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(cc1)C(N1CCC(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9448 |
| logD: | 4.2573 |
| logSw: | -4.5121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.115 |
| InChI Key: | GEMVFLNUBAQVRK-UHFFFAOYSA-N |