ethyl 4-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
ethyl 4-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C530-0267 |
| Compound Name: | ethyl 4-(10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8015 |
| logD: | 1.8015 |
| logSw: | -2.7087 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.806 |
| InChI Key: | JQCPRVPIIIKFDM-UHFFFAOYSA-N |