N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0238 |
| Compound Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | COc1ccc2c(c1)c(CCNC(CN1C(C=C3CCCCCC3=N1)=O)=O)c[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3502 |
| logD: | 2.3502 |
| logSw: | -2.954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.291 |
| InChI Key: | WTMRUSHPMJXPBP-UHFFFAOYSA-N |