Chemical ID: 5459256

CC(c1nnc(n1C)SCC(=O)c2cccc(c2)[N+](=O)[O-])NC(=O)c3ccccc3F
Chemical ID:
5459256
Name [?]:
2-fluoro-N-[1-[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILES [?]:
CC(c1nnc(n1C)SCC(=O)c2cccc(c2)[N+](=O)[O-])NC(=O)c3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18FN5O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:5.99053
Area:679.582
Solvation:-10.999
Coulombic:-55.8606
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:443.453
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.74
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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