Chemical ID: 5321586

C=CCn1c(nnc1SCC(=O)NC2CCCCC2)c3cc4cc(ccc4o3)Cl
Chemical ID:
5321586
Name [?]:
2-[[4-allyl-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)NC2CCCCC2)c3cc4cc(ccc4o3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23ClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.6315
Area:664.615
Solvation:-2.98392
Coulombic:-44.3687
Bond Count [?]
All:32
Single:24
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.952
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.09
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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