2-{[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
2-{[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-0946 |
| Compound Name: | 2-{[2-(3-chloro-4-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C22 H16 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccccc2C#N)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1532 |
| logD: | 5.1532 |
| logSw: | -5.3662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.799 |
| InChI Key: | QGPZCDJBPMWUGL-UHFFFAOYSA-N |