Chemical ID: 5305657

Cc1cccc(c1)c2nnc(n2c3ccc(cc3)OC)SCc4ccc(cc4)C#N
Chemical ID:
5305657
Name [?]:
4-[[4-(4-methoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
SMILES [?]:
Cc1cccc(c1)c2nnc(n2c3ccc(cc3)OC)SCc4ccc(cc4)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0392
Area:653.218
Solvation:-3.29128
Coulombic:-26.438
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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