[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Chemical Structure Depiction of
[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Compound characteristics
| Compound ID: | M786-2919 |
| Compound Name: | [4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | C1CCN(C1)C(C1=NN(CC#N)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3463 |
| logD: | 0.3463 |
| logSw: | -2.0378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.445 |
| InChI Key: | SCBWBNCVNOWBIU-UHFFFAOYSA-N |