2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | C799-0511 |
| Compound Name: | 2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | CC1c2c(C(N(CC(N3CCN(CC3)c3ccccc3)=O)N=1)=O)c(C)n(c1ccc(C)cc1C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6225 |
| logD: | 3.6224 |
| logSw: | -3.9902 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.694 |
| InChI Key: | NTPSCTNFOIFTTH-UHFFFAOYSA-N |