ethyl 1-{4-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}piperidine-4-carboxylate
ethyl 1-{4-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | M026-0055 |
| Compound Name: | ethyl 1-{4-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}piperidine-4-carboxylate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CCOC(C1CCN(CC1)S(c1ccc(\C=C/c2c(c(C)no2)NC(C)=O)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7326 |
| logD: | 1.7325 |
| logSw: | -2.6318 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.085 |
| InChI Key: | AGJSQCSIEHAAMF-UHFFFAOYSA-N |