3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2008 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C16 H21 N3 O3 S2 |
| Smiles: | Cc1ccc2c(c1)NC(=NS2(=O)=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3767 |
| logD: | 2.3387 |
| logSw: | -2.8782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.429 |
| InChI Key: | SMWPNVUPYMWHFC-UHFFFAOYSA-N |