N-[2-(azepan-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamide
N-[2-(azepan-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamide
Compound characteristics
| Compound ID: | E854-1308 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)propanamide |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CC(C(NCCN1CCCCCC1)=O)N1C(c2c(C(C)=N1)c(C)n(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5681 |
| logD: | 0.9997 |
| logSw: | -2.7385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.715 |
| InChI Key: | DSBKCNFPYZQEFA-IBGZPJMESA-N |