Chemical ID: 5486629

CCn1c(nnc1SCC(=O)N2CCCCCC2)c3ccncc3
Chemical ID:
5486629
Name [?]:
1-azepan-1-yl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)N2CCCCCC2)c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H23N5OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6449
Area:551.409
Solvation:-3.14035
Coulombic:-32.5817
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.464
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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