N-[(2,5-dimethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0267 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COc1ccc(c(CNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4068 |
| logD: | 3.4068 |
| logSw: | -3.8623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.953 |
| InChI Key: | ZHPRWMYVGBQPTR-UHFFFAOYSA-N |