2-[2-oxo-2-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[2-oxo-2-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[2-oxo-2-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-7630 |
| Compound Name: | 2-[2-oxo-2-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCc4c5ccccc5[nH]c4C3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9615 |
| logD: | 1.9615 |
| logSw: | -2.6173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.468 |
| InChI Key: | DXLDUDFBIPWQLU-UHFFFAOYSA-N |