3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]benzonitrile
3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C200-9153 |
| Compound Name: | 3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]benzonitrile |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | C(c1cccc(C#N)c1)N1C(N(Cc2ccccc2)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7482 |
| logD: | 3.7482 |
| logSw: | -4.1147 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.016 |
| InChI Key: | ODTRTRPSXVYQRX-UHFFFAOYSA-N |