ethyl 5,5,11-trioxo-10-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 5,5,11-trioxo-10-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 5,5,11-trioxo-10-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0112 |
| Compound Name: | ethyl 5,5,11-trioxo-10-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C27 H26 N2 O6 S |
| Smiles: | CCOC(c1ccc2c(c1)N(CC(Nc1c(C)cc(C)cc1C)=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1381 |
| logD: | 4.1381 |
| logSw: | -4.1984 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.888 |
| InChI Key: | IXWKMXRRUPGQFN-UHFFFAOYSA-N |