ethyl 1-{10-[(4-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{10-[(4-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
ethyl 1-{10-[(4-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C529-0561 |
| Compound Name: | ethyl 1-{10-[(4-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C29 H27 Cl N2 O5 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9796 |
| logD: | 3.9796 |
| logSw: | -4.4048 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.12 |
| InChI Key: | DMHIQFQEGPFQAG-UHFFFAOYSA-N |