N-{[4-(dimethylamino)phenyl]methyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-{[4-(dimethylamino)phenyl]methyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0270 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CN(C)c1ccc(CNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2967 |
| logD: | 3.2813 |
| logSw: | -3.6891 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.583 |
| InChI Key: | DNJMUPFZDLTKCZ-UHFFFAOYSA-N |