ethyl 1-(10-benzyl-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-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
ethyl 1-(10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C529-1485 |
| Compound Name: | ethyl 1-(10-benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C29 H28 N2 O5 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3849 |
| logD: | 3.3849 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.12 |
| InChI Key: | NISJTXGOVIWJOG-UHFFFAOYSA-N |