N-[3-(azepan-1-yl)propyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
N-[3-(azepan-1-yl)propyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E859-0133 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-1-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C28 H39 N7 O |
| Smiles: | Cc1c2c(c(nn1)N1CCC(CC1)C(NCCCN1CCCCCC1)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.2069 |
| logD: | 0.5782 |
| logSw: | -3.3695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.839 |
| InChI Key: | TXXLTRQMOUBPJV-UHFFFAOYSA-N |