N-[(4-ethoxyphenyl)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-ethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(4-ethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0268 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CCOc1ccc(CNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5757 |
| logD: | 3.5757 |
| logSw: | -3.6405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.902 |
| InChI Key: | ZVOAVYSZWXJKIT-UHFFFAOYSA-N |