Chemical ID: 5539568

Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)C#N
Chemical ID:
5539568
Name [?]:
4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
SMILES [?]:
Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2368
Area:541.261
Solvation:-2.2947
Coulombic:-17.8011
Bond Count [?]
All:25
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.413
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.22
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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