[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Chemical Structure Depiction of
[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Compound characteristics
| Compound ID: | M786-3288 |
| Compound Name: | [7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CC#N)N=C(C(N1CCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9633 |
| logD: | 0.9633 |
| logSw: | -2.2788 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.445 |
| InChI Key: | NEUSWKOXRBOWSK-UHFFFAOYSA-N |