3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-1950 |
| Compound Name: | 3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C13 H15 N3 O3 S2 |
| Smiles: | C1CCN(C1)C(CSC1Nc2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1708 |
| logD: | 1.1144 |
| logSw: | -2.2314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.464 |
| InChI Key: | MARNTNQFKGIHFU-UHFFFAOYSA-N |