3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2575 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C19 H27 N3 O3 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6324 |
| logD: | 3.6324 |
| logSw: | -3.664 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.687 |
| InChI Key: | SHKNGIPKJXMYAG-UHFFFAOYSA-N |