4-[9-(4-methoxyphenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[9-(4-methoxyphenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
4-[9-(4-methoxyphenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | 8016-1102 |
| Compound Name: | 4-[9-(4-methoxyphenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C22 H20 N4 O3 |
| Smiles: | COc1ccc(cc1)C1C2C(C(N(C2=O)c2ccc(C#N)cc2)=O)N2CCCN12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4358 |
| logD: | 1.4358 |
| logSw: | -1.9316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.657 |
| InChI Key: | LIRWCOCGFMKMCY-UHFFFAOYSA-N |