Chemical ID: 5306666

c1cc(oc1)c2nnc(n2c3ccc(cc3)Cl)SCC(=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
5306666
Name [?]:
2-[[4-(4-chlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)-ethanone
SMILES [?]:
c1cc(oc1)c2nnc(n2c3ccc(cc3)Cl)SCC(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H12Cl3N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1569
Area:671.045
Solvation:-3.61918
Coulombic:-30.0487
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:464.752
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.25
LogP (Chemaxon):5.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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