3-{[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-3048 |
| Compound Name: | 3-{[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(C1=NN(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5183 |
| logD: | 2.5183 |
| logSw: | -2.8122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.394 |
| InChI Key: | USLYCJCRDWTXAR-UHFFFAOYSA-N |