ethyl 10-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0090 |
| Compound Name: | ethyl 10-{2-[2-(ethoxycarbonyl)anilino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 536.56 |
| Molecular Formula: | C27 H24 N2 O8 S |
| Smiles: | CCOC(c1ccc2c(c1)N(CC(Nc1ccccc1C(=O)OCC)=O)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8931 |
| logD: | 3.8773 |
| logSw: | -4.0131 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.34 |
| InChI Key: | IANKHFWKXYRGFU-UHFFFAOYSA-N |