Chemical ID: 5304788

Cc1cccc(c1)CSc2nnc(n2c3ccccc3)c4ccc(cc4)C(C)(C)C
Chemical ID:
5304788
Name [?]:
3-(m-tolylmethylsulfanyl)-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
Cc1cccc(c1)CSc2nnc(n2c3ccccc3)c4ccc(cc4)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.8843
Area:656.609
Solvation:-1.53093
Coulombic:-18.3092
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:413.579
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:9.32
LogP (Chemaxon):7.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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