N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0088 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4985 |
| logD: | 2.4985 |
| logSw: | -2.8185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.881 |
| InChI Key: | UPNWNGKKKBNKTB-UHFFFAOYSA-N |