Chemical ID: 5556264

Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3)F
Chemical ID:
5556264
Name [?]:
2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21FN4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.37
Area:613.084
Solvation:-3.95706
Coulombic:-38.1692
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.482
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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