2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(thiophen-2-yl)methyl]acetamide
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G596-0159 |
| Compound Name: | 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C19 H17 N3 O2 S2 |
| Smiles: | C(c1cccs1)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1817 |
| logD: | 3.1817 |
| logSw: | -3.3716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.797 |
| InChI Key: | FQLXOESJTJJBHL-UHFFFAOYSA-N |