ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V024-6657 |
| Compound Name: | ethyl 1-[3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C28 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCC(CC1)C(=O)OCC)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8102 |
| logD: | 3.8099 |
| logSw: | -3.7822 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.269 |
| InChI Key: | QJGQSLQYIHLLFW-UHFFFAOYSA-N |