N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Compound characteristics
| Compound ID: | C884-1536 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCC(C(NCCc1ccc(c(c1)OC)OC)=O)n1c2C(N(C)N=Cc2c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3617 |
| logD: | 2.3616 |
| logSw: | -2.889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.09 |
| InChI Key: | BERKEASJAIZFPH-IBGZPJMESA-N |