methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate
methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G740-0088 |
| Compound Name: | methyl 2-{2-[2-(4-chlorophenyl)-3,7-dimethyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamido}benzoate |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C23 H20 Cl N5 O4 |
| Smiles: | CC1c2c(C(N(CC(Nc3ccccc3C(=O)OC)=O)N=1)=O)c(C)n(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 3.3053 |
| logD: | 3.2989 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.968 |
| InChI Key: | OHBIOXQKHZDOQT-UHFFFAOYSA-N |