ethyl 1-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V027-8216 |
| Compound Name: | ethyl 1-[3-({[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 525.71 |
| Molecular Formula: | C28 H39 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC(C1)C(=O)OCC)=O)N1CCN(CC)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3669 |
| logD: | 3.6794 |
| logSw: | -4.1885 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.543 |
| InChI Key: | GSOSIIBOQWGECT-QHCPKHFHSA-N |