{1-[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ferrocene
Chemical Structure Depiction of
{1-[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ferrocene
{1-[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ferrocene
Compound characteristics
| Compound ID: | 8004-8135 |
| Compound Name: | {1-[(2Z)-4-ethoxy-4-oxobut-2-en-2-yl]-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl}ferrocene |
| Molecular Weight: | 442.34 |
| Molecular Formula: | C25 H26 Fe N2 O2 |
| Smiles: | CCOC(/C=C(/C)N1C(CC(C2=CC=C[C-]2..[Fe]..[C-]2C=CC=C2)=N1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7989 |
| logD: | 5.7989 |
| logSw: | -5.5807 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.45 |
| InChI Key: | ITFASUVTASBHQT-UHFFFAOYSA-N |