N-[2-(6-bromo-1H-indol-1-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-(6-bromo-1H-indol-1-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[2-(6-bromo-1H-indol-1-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0336 |
| Compound Name: | N-[2-(6-bromo-1H-indol-1-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C21 H23 Br N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(NCCn3ccc4ccc(cc34)[Br])=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.314 |
| logD: | 3.314 |
| logSw: | -3.5501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.966 |
| InChI Key: | CQBZSCCGOUZOAQ-UHFFFAOYSA-N |