Chemical ID: 5307969

CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccc(cc3)C
Chemical ID:
5307969
Name [?]:
2-[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18FN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6307
Area:568.249
Solvation:-3.57558
Coulombic:-25.7786
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.43
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.14
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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