ethyl 4-[(3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
ethyl 4-[(3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 2743-1105 |
| Compound Name: | ethyl 4-[(3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 629.66 |
| Molecular Formula: | C31 H30 F3 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CC(N(CCc2ccc(c(c2)OC)OC)/C(=N/c2cccc(c2)C(F)(F)F)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9724 |
| logD: | 5.9717 |
| logSw: | -5.6135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.132 |
| InChI Key: | MGHLAILJOFWWKB-SANMLTNESA-N |