ethyl 1-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
ethyl 1-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C530-0297 |
| Compound Name: | ethyl 1-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C24 H26 N2 O6 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCCC(C1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2124 |
| logD: | 2.2124 |
| logSw: | -2.8316 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.713 |
| InChI Key: | DECSDBIPCQTHKS-KRWDZBQOSA-N |