4-[2-(2,4-dichlorophenyl)-1,3-dioxooctahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-9-yl]benzonitrile
Chemical Structure Depiction of
4-[2-(2,4-dichlorophenyl)-1,3-dioxooctahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-9-yl]benzonitrile
4-[2-(2,4-dichlorophenyl)-1,3-dioxooctahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-9-yl]benzonitrile
Compound characteristics
| Compound ID: | 8016-3330 |
| Compound Name: | 4-[2-(2,4-dichlorophenyl)-1,3-dioxooctahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-9-yl]benzonitrile |
| Molecular Weight: | 427.29 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 |
| Smiles: | C1CN2C3C(C(c4ccc(C#N)cc4)N2C1)C(N(C3=O)c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6852 |
| logD: | 2.6852 |
| logSw: | -3.7218 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.812 |
| InChI Key: | UQQUYRAXIADSOM-UHFFFAOYSA-N |