N-{3-[benzyl(methyl)amino]propyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-{3-[benzyl(methyl)amino]propyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0235 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CN(CCCNC(CN1C(CSc2cccn2c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 1.4419 |
| logSw: | -3.4232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.714 |
| InChI Key: | QFGBMEKBQNEASZ-UHFFFAOYSA-N |