Chemical ID: 5427264

CN(C1CCCCC1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4Br
Chemical ID:
5427264
Name [?]:
2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-acetamide
SMILES [?]:
CN(C1CCCCC1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27BrN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.7459
Area:668.33
Solvation:-2.9624
Coulombic:-31.7721
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:499.468
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.44
LogP (Chemaxon):5.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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