Chemical ID: 4394973

CC1=NN(C(=O)C1=Cc2ccc(o2)c3ccc(cc3)C(=O)OCC=C)c4ccc(cc4)S(=O)(=O)N
Chemical ID:
4394973
Name [?]:
allyl 4-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-pyrazol-4-ylidene]methyl]-2-furyl]benzoate
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc(o2)c3ccc(cc3)C(=O)OCC=C)c4ccc(cc4)S(=O)(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3O6S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.776
Area:735.368
Solvation:-4.60815
Coulombic:-61.6146
Bond Count [?]
All:38
Single:23
Double:15
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:491.517
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.43
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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