methyl 3-{[4-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino}benzoate
methyl 3-{[4-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G209-0060 |
| Compound Name: | methyl 3-{[4-(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C26 H27 N7 O3 |
| Smiles: | Cc1c2c(c(nn1)N1CCN(CC1)C(Nc1cccc(c1)C(=O)OC)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 3.5871 |
| logD: | 3.5622 |
| logSw: | -3.9855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.721 |
| InChI Key: | KRLVGIVQZPGUMR-UHFFFAOYSA-N |