N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-methylacetamide
Chemical Structure Depiction of
N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-methylacetamide
N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | G598-0537 |
| Compound Name: | N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-methylacetamide |
| Molecular Weight: | 486.96 |
| Molecular Formula: | C26 H23 Cl N6 O2 |
| Smiles: | CC1c2c(C(N(CC(N(C)Cc3ccccc3)=O)N=1)=O)c(n1cccc1)n(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4792 |
| logD: | 4.4792 |
| logSw: | -5.0067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.028 |
| InChI Key: | XQQMTMIRWJJENQ-UHFFFAOYSA-N |