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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | G598-0625 |
| Compound Name: | 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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C26 H27 Cl N6 O2 |
| Smiles: | CC1c2c(C(N(CC(NCCC3CCCCC=3)=O)N=1)=O)c(n1cccc1)n(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.2616 |
| logD: | 4.2616 |
| logSw: | -4.8219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.639 |
| InChI Key: | FOEDQGPUPRQESV-UHFFFAOYSA-N |