Chemical ID: 4836681

CC(C)(C)c1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCc4ccccc4F
Chemical ID:
4836681
Name [?]:
3-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(4-tert-butylphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCc4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H26FN3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.3156
Area:679.728
Solvation:-3.67762
Coulombic:-27.7696
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.569
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.96
LogP (Chemaxon):7.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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