ethyl 1-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
ethyl 1-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C791-0074 |
| Compound Name: | ethyl 1-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)piperidine-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3457 |
| logD: | 3.3455 |
| logSw: | -3.6831 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.511 |
| InChI Key: | SNLNATYWCYSBCR-HNNXBMFYSA-N |