Chemical ID: 4105739

c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)F)CN4CCOCC4
Chemical ID:
4105739
Name [?]:
4-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)F)CN4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21FN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.574
Area:592.421
Solvation:-4.23656
Coulombic:-31.0081
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.471
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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