ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-4-carboxylate
ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V026-3815 |
| Compound Name: | ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 577.75 |
| Molecular Formula: | C31 H39 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(C(N2CCC(CC2)C(=O)OCC)=O)o1)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5423 |
| logD: | 5.4352 |
| logSw: | -5.2958 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.455 |
| InChI Key: | KFSFHEBYRLJSID-UHFFFAOYSA-N |