N-[2-(4-methylphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[2-(4-methylphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0132 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | Cc1ccc(CCNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4048 |
| logD: | 3.4048 |
| logSw: | -3.7395 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.62 |
| InChI Key: | ZZRNUPYZZOPSKO-UHFFFAOYSA-N |