N-[(4-ethoxyphenyl)methyl]-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-ethoxyphenyl)methyl]-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-ethoxyphenyl)methyl]-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: | F747-0514 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-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: | 510.6 |
| Molecular Formula: | C29 H30 N6 O3 |
| Smiles: | CCOc1ccc(CNC(CCCN2C(c3c(C(C)=N2)nn(c2ccccc2)c3n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6444 |
| logD: | 3.6444 |
| logSw: | -3.8193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.707 |
| InChI Key: | LFCAOPVDPRSXRW-UHFFFAOYSA-N |