Chemical ID: 5712218

Cc1ccc(cc1)n2c(nnc2SCC#N)c3cccc(c3)OC
Chemical ID:
5712218
Name [?]:
2-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC#N)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3665
Area:547.495
Solvation:-3.32087
Coulombic:-23.5315
Bond Count [?]
All:26
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.412
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.2
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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