Chemical ID: 5599262

COc1ccc(cc1)c2nnc(n2c3cccc(c3)C(F)(F)F)SCc4cccc(c4)Cl
Chemical ID:
5599262
Name [?]:
3-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1)c2nnc(n2c3cccc(c3)C(F)(F)F)SCc4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17ClF3N3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.0288
Area:670.109
Solvation:-3.72395
Coulombic:-41.8869
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:475.915
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.53
LogP (Chemaxon):6.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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