3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-benzyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-benzyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-benzyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2825 |
| Compound Name: | 3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-benzyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | C1CCCN(CC1)C(CSC1=NS(c2ccccc2N1Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9709 |
| logD: | 3.9709 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.437 |
| InChI Key: | HPLAIBJHUHTYFZ-UHFFFAOYSA-N |