4-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
4-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
Compound ID: | K261-1675 |
Compound Name: | 4-{[2-(5-chloro-2-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(cc1N1C(N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.9758 |
logD: | 4.9758 |
logSw: | -4.9634 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 63.498 |
InChI Key: | DEVZDSGQMGKYTG-UHFFFAOYSA-N |