4-{[2-(3,5-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-(3,5-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
4-{[2-(3,5-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2269 |
| Compound Name: | 4-{[2-(3,5-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: | COc1cc(cc(c1)OC)N1C(N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2449 |
| logD: | 4.2449 |
| logSw: | -4.3055 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.886 |
| InChI Key: | SGJHKFVTPHUHNX-UHFFFAOYSA-N |