Chemical ID: 5834763

CC1=NN(C(=O)C1=NNc2ccc(cc2)C(=O)c3ccccc3)c4nc(cs4)c5cccc(c5)[N+](=O)[O-]
Chemical ID:
5834763
Name [?]:
4-(4-benzoylphenyl)aminoimino-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=NNc2ccc(cc2)C(=O)c3ccccc3)c4nc(cs4)c5cccc(c5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H18N6O4S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:9.37993
Area:766.491
Solvation:-9.78234
Coulombic:-54.8567
Bond Count [?]
All:41
Single:25
Double:16
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:510.525
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:6.03
LogP (Chemaxon):7.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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