2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(2-phenylethyl)acetamide
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G596-0130 |
| Compound Name: | 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | C(CNC(CN1C(CSc2cccn2c2ccccc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9814 |
| logD: | 2.9814 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.62 |
| InChI Key: | MIPQKTWZADGQMR-UHFFFAOYSA-N |