Chemical ID: 5087237

CC1=NN(C(=O)C1=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)c4cccc(c4)C(=O)O
Chemical ID:
5087237
Name [?]:
3-[3-methyl-5-oxo-4-[[5-(4-sulfamoylphenyl)-2-furyl]methylene]pyrazol-1-yl]benzoic acid
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)c4cccc(c4)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17N3O6S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.8422
Area:661.307
Solvation:-4.69051
Coulombic:-67.2447
Bond Count [?]
All:35
Single:21
Double:14
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:451.453
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.49
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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