4-{[2-(3-chlorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
4-{[2-(3-chlorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-1840 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C21 H14 Cl N3 O3 S |
| Smiles: | C(c1ccc(C#N)cc1)N1C(N(c2cccc(c2)[Cl])S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.527 |
| logD: | 4.527 |
| logSw: | -4.5589 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.799 |
| InChI Key: | OBMKYMSVMDZHDG-UHFFFAOYSA-N |