N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3051 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 542.58 |
| Molecular Formula: | C28 H25 F3 N2 O4 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccc(cc12)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6829 |
| logD: | 4.6829 |
| logSw: | -4.4466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.623 |
| InChI Key: | PQGKXMHWNCHXFB-UHFFFAOYSA-N |