Chemical ID: 5441553

CCOc1ccc(cc1)n2c(nnc2SCc3ccccc3F)c4ccc(cc4)C
Chemical ID:
5441553
Name [?]:
4-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazole
SMILES [?]:
CCOc1ccc(cc1)n2c(nnc2SCc3ccccc3F)c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22FN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.5732
Area:647.097
Solvation:-3.60423
Coulombic:-27.1559
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.516
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.01
LogP (Chemaxon):6.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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