Chemical ID: 4370056

c1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)c4ccco4
Chemical ID:
4370056
Name [?]:
1-(4-chlorophenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H14ClN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.58
Area:604.637
Solvation:-3.53589
Coulombic:-30.1526
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.863
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.01
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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