ethyl 4-[(10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
ethyl 4-[(10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C530-1890 |
| Compound Name: | ethyl 4-[(10-benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C29 H29 N3 O6 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6208 |
| logD: | 3.6208 |
| logSw: | -3.8406 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.3 |
| InChI Key: | CKMDKKKZLWVJSP-UHFFFAOYSA-N |