Chemical ID: 4489830

c1ccc(cc1)n2c(nnc2SCc3ccccc3Cl)CNC(=O)c4ccccc4F
Chemical ID:
4489830
Name [?]:
N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3ccccc3Cl)CNC(=O)c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H18ClFN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.8968
Area:676.907
Solvation:-4.0259
Coulombic:-40.6918
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.932
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.02
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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