Chemical ID: 4388861

CCOc1cc(ccc1O)C=C2C(=NN(C2=O)c3ccccc3)c4ccc(cc4)OC
Chemical ID:
4388861
Name [?]:
4-[(3-ethoxy-4-hydroxy-phenyl)methylene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=NN(C2=O)c3ccccc3)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.99968
Area:606.07
Solvation:-6.15207
Coulombic:-49.0507
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.33
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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