ethyl 5,5,11-trioxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]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-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 5,5,11-trioxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0044 |
| Compound Name: | ethyl 5,5,11-trioxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]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(Nc1ccc(cc1)C(C)C)=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.963 |
| logD: | 4.963 |
| logSw: | -4.4604 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.284 |
| InChI Key: | VHASYOOOUVHROC-UHFFFAOYSA-N |