3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2035 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C15 H19 N3 O3 S2 |
| Smiles: | C1CCCN(CC1)C(CSC1Nc2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8857 |
| logD: | 1.8293 |
| logSw: | -2.4175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.429 |
| InChI Key: | NMGQIEKQKPUBPP-UHFFFAOYSA-N |