ethyl 4-(4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
ethyl 4-(4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C310-2998 |
| Compound Name: | ethyl 4-(4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 519.54 |
| Molecular Formula: | C25 H24 F3 N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(C)C(/C(=C/c1ccc(cc1)C(F)(F)F)S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1011 |
| logD: | 4.1011 |
| logSw: | -4.198 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.535 |
| InChI Key: | VJAGBUWPUASBLK-UHFFFAOYSA-N |