3-{[4,4-dioxo-3-(piperidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4,4-dioxo-3-(piperidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[4,4-dioxo-3-(piperidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-2991 |
| Compound Name: | 3-{[4,4-dioxo-3-(piperidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | C1CCN(CC1)C(C1=NN(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1879 |
| logD: | 2.1879 |
| logSw: | -2.6782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.394 |
| InChI Key: | FZZIGZSYTPJSDN-UHFFFAOYSA-N |