2-benzylidene-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9762 |
| Compound Name: | 2-benzylidene-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 616.83 |
| Molecular Formula: | C38 H40 N4 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCN2CCN(CC2)c2cccc(C)c2C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.8166 |
| logD: | 7.7036 |
| logSw: | -5.5522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.266 |
| InChI Key: | UPVITOPKGMLKRY-UHFFFAOYSA-N |