methyl 3-[2-(2-fluorophenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(2-fluorophenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 3-[2-(2-fluorophenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | 8016-0122 |
| Compound Name: | methyl 3-[2-(2-fluorophenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 452.43 |
| Molecular Formula: | C21 H16 F4 N2 O3 S |
| Smiles: | COC(C1=CC(N(CCc2ccccc2F)/C(=N/c2cccc(c2)C(F)(F)F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.078 |
| logD: | 5.0775 |
| logSw: | -4.9875 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.2 |
| InChI Key: | DXTYCIJGVLZVNC-UHFFFAOYSA-N |