Chemical ID: 4502163

c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)[N+](=O)[O-])CNC(=O)c4ccccc4F
Chemical ID:
4502163
Name [?]:
2-fluoro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)[N+](=O)[O-])CNC(=O)c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H18FN5O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:7.97486
Area:702.609
Solvation:-9.59036
Coulombic:-51.2008
Bond Count [?]
All:36
Single:23
Double:13
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:463.485
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.17
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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