3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2638 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)N1C(N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4652 |
| logD: | 3.4652 |
| logSw: | -3.895 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.06 |
| InChI Key: | JCGQCPCIFVFJAM-UHFFFAOYSA-N |