methyl 11-oxo-10-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 11-oxo-10-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 11-oxo-10-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0216 |
| Compound Name: | methyl 11-oxo-10-{2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 486.47 |
| Molecular Formula: | C24 H17 F3 N2 O4 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccccc1C(F)(F)F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2393 |
| logD: | 5.2393 |
| logSw: | -4.9356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.026 |
| InChI Key: | OEAWITQZCBTPSK-UHFFFAOYSA-N |