N-(1-benzylpiperidin-4-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-(1-benzylpiperidin-4-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0155 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | C1CN(CCC1NC(CN1C(CSc2cccn2c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3319 |
| logD: | 1.7742 |
| logSw: | -3.5597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.044 |
| InChI Key: | BHYVKJKQTYIHFF-UHFFFAOYSA-N |