4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C700-0091 |
| Compound Name: | 4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
| Molecular Weight: | 597.76 |
| Molecular Formula: | C33 H31 N3 O4 S2 |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCc3ccc(cc3)S(N)(=O)=O)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4819 |
| logD: | 5.4812 |
| logSw: | -5.3445 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.927 |
| InChI Key: | UVJTUVGWDIRLKK-UHFFFAOYSA-N |