ethyl 1-{2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoyl}piperidine-3-carboxylate
ethyl 1-{2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | E532-0042 |
| Compound Name: | ethyl 1-{2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccccc1NC(C1=C(C)OCCS1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8706 |
| logD: | 1.0623 |
| logSw: | -2.8295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.238 |
| InChI Key: | DOGYCIWWLRDFJN-HNNXBMFYSA-N |