Chemical ID: 5701292

Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)C#N)c4cccc(c4)OC
Chemical ID:
5701292
Name [?]:
4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)C#N)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0735
Area:654.986
Solvation:-3.30119
Coulombic:-26.4335
Bond Count [?]
All:33
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:412.508
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):5.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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