Chemical ID: 5124502

c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Br)C4CCCCC4
Chemical ID:
5124502
Name [?]:
N-(4-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Br)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.6882
Area:656.909
Solvation:-2.73454
Coulombic:-34.1622
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:471.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.09
LogP (Chemaxon):5.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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