N-[(4-ethylphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
N-[(4-ethylphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
Compound characteristics
| Compound ID: | G598-0216 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C27 H26 N6 O2 |
| Smiles: | CCc1ccc(CNC(CN2C(c3c(C(C)=N2)nn(c2ccccc2)c3n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3308 |
| logD: | 4.3308 |
| logSw: | -4.3073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.605 |
| InChI Key: | FFDDBLQSIWDYKG-UHFFFAOYSA-N |