4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(4-fluorophenyl)methyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C700-0052 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C32 H27 F N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCc3ccc(cc3)F)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.2169 |
| logD: | 7.2168 |
| logSw: | -5.5718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.483 |
| InChI Key: | NYFQYESQLFMFQG-UHFFFAOYSA-N |