[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Chemical Structure Depiction of
[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
[3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Compound characteristics
| Compound ID: | M786-3037 |
| Compound Name: | [3-(4-methylpiperidine-1-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(C1=NN(CC#N)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9639 |
| logD: | 0.9639 |
| logSw: | -2.1533 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.079 |
| InChI Key: | LMDHVOGOBNAMBM-UHFFFAOYSA-N |