methyl 3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Chemical Structure Depiction of
methyl 3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
methyl 3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Compound characteristics
| Compound ID: | K783-6043 |
| Compound Name: | methyl 3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| Molecular Weight: | 379.36 |
| Molecular Formula: | C18 H12 F3 N O3 S |
| Smiles: | COC(c1ccc2c(c1)NC(/C(=C\c1ccc(cc1)C(F)(F)F)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9229 |
| logD: | 4.9229 |
| logSw: | -4.7304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.018 |
| InChI Key: | HHEFKMOSGHAJJI-UHFFFAOYSA-N |