Chemical ID: 5301660

COc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(c(c3)Cl)Cl)c4ccco4
Chemical ID:
5301660
Name [?]:
1-(3,4-dichlorophenyl)-2-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc(c(c3)Cl)Cl)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15Cl2N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8031
Area:671.791
Solvation:-4.99168
Coulombic:-36.1014
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:460.334
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.54
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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