ethyl 1-{10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
ethyl 1-{10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K788-4569 |
| Compound Name: | ethyl 1-{10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C29 H27 F N2 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1cccc(c1)F)C(c1ccccc1S2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2462 |
| logD: | 5.2462 |
| logSw: | -4.9428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.736 |
| InChI Key: | SWXUVYYXVGVJPC-NRFANRHFSA-N |