N-[2-(5-methoxy-1H-indol-3-yl)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-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0220 |
| Compound Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c(CCNC(CN1C(CSc3cccn3c3ccccc13)=O)=O)c[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.3515 |
| logD: | 3.3515 |
| logSw: | -3.7274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.035 |
| InChI Key: | CNBKMRFLPJNLIL-UHFFFAOYSA-N |