3-{[2-(2,3-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(2,3-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
3-{[2-(2,3-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2319 |
| Compound Name: | 3-{[2-(2,3-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1cccc(c1C)N1C(N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7074 |
| logD: | 4.7074 |
| logSw: | -4.4038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.498 |
| InChI Key: | JBSZEXSFZDWCCK-UHFFFAOYSA-N |