4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,4,6-trimethylphenyl)butanamide
Chemical Structure Depiction of
4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,4,6-trimethylphenyl)butanamide
4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,4,6-trimethylphenyl)butanamide
Compound characteristics
| Compound ID: | F747-0447 |
| Compound Name: | 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-(2,4,6-trimethylphenyl)butanamide |
| Molecular Weight: | 494.6 |
| Molecular Formula: | C29 H30 N6 O2 |
| Smiles: | CC1c2c(C(N(CCCC(Nc3c(C)cc(C)cc3C)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.0884 |
| logD: | 4.0884 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.866 |
| InChI Key: | ZBJVXUPHCZDXTK-UHFFFAOYSA-N |