3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2096 |
| Compound Name: | 3-{[2-(4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2525 |
| logD: | 4.2525 |
| logSw: | -4.3289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.799 |
| InChI Key: | ZHIDCWUJPBFRIP-UHFFFAOYSA-N |