N-(3-chloro-4-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
Compound characteristics
| Compound ID: | E854-2737 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | CC1c2c(C(N(CCCC(Nc3ccc(C)c(c3)[Cl])=O)N=1)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 4.0074 |
| logD: | 4.0068 |
| logSw: | -4.5288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.47 |
| InChI Key: | XSUPGHKAVKOULD-UHFFFAOYSA-N |