methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | 8016-2098 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 464.42 |
| Molecular Formula: | C21 H15 F3 N2 O5 S |
| Smiles: | COC(C1=CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(c2)C(F)(F)F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6713 |
| logD: | 4.6703 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.337 |
| InChI Key: | WCYYRSIYVPTZFJ-UHFFFAOYSA-N |