Chemical ID: 5306204

CCOc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)c4ccco4
Chemical ID:
5306204
Name [?]:
1-(4-chlorophenyl)-2-[[4-(4-ethoxyphenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CCOc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(cc3)Cl)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18ClN3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0937
Area:674.1
Solvation:-4.75881
Coulombic:-36.5569
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.915
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.34
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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