N-(4-chloro-2-methylphenyl)-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
N-(4-chloro-2-methylphenyl)-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Compound characteristics
| Compound ID: | F747-0403 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide |
| Molecular Weight: | 500.99 |
| Molecular Formula: | C27 H25 Cl N6 O2 |
| Smiles: | CC1c2c(C(N(CCCC(Nc3ccc(cc3C)[Cl])=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4359 |
| logD: | 4.4355 |
| logSw: | -4.7899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.564 |
| InChI Key: | QPDWRVQQODRWET-UHFFFAOYSA-N |