ethyl 1-{10-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
ethyl 1-{10-[(4-fluorophenyl)methyl]-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: | C530-1221 |
| Compound Name: | ethyl 1-{10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 550.61 |
| Molecular Formula: | C29 H27 F N2 O6 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5435 |
| logD: | 3.5435 |
| logSw: | -3.7979 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.716 |
| InChI Key: | SRQBVRRWOHLWER-NRFANRHFSA-N |