Chemical ID: 3993368

COc1ccc(cc1)c2nnc(n2c3cccc(c3)C(F)(F)F)S
Chemical ID:
3993368
Name [?]:
5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol
SMILES [?]:
COc1ccc(cc1)c2nnc(n2c3cccc(c3)C(F)(F)F)S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H12F3N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.85787
Area:500.217
Solvation:-3.64755
Coulombic:-40.484
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.347
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.1
LogP (Chemaxon):4.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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