ethyl 1-{10-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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: | C530-1353 |
| Compound Name: | ethyl 1-{10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 560.67 |
| Molecular Formula: | C31 H32 N2 O6 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5605 |
| logD: | 4.5605 |
| logSw: | -4.2996 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.716 |
| InChI Key: | IBLBIOZRFLJCLI-QHCPKHFHSA-N |