Chemical ID: 5842027

CCOC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)O)C(=N2)C(F)(F)F
Chemical ID:
5842027
Name [?]:
ethyl 4-[4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)O)C(=N2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17F3N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.75262
Area:629.123
Solvation:-5.97546
Coulombic:-78.1586
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:434.365
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.33
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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