Chemical ID: 5074608

CCOC(=O)COc1ccc(cc1OC)C=C2C(=NN(C2=O)c3ccccc3)C
Chemical ID:
5074608
Name [?]:
ethyl 2-[2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1OC)C=C2C(=NN(C2=O)c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.94045
Area:630.854
Solvation:-6.8309
Coulombic:-49.973
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:394.421
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.45
LogP (Chemaxon):3.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue