N-cyclooctyl-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-cyclooctyl-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-cyclooctyl-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0082 |
| Compound Name: | N-cyclooctyl-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | C1CCCC(CCC1)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4198 |
| logD: | 4.4198 |
| logSw: | -4.2599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.835 |
| InChI Key: | RMABWOZYVOLHQD-UHFFFAOYSA-N |