Chemical ID: 4789745

Cc1ccc(cc1)n2c(nnc2SCc3c(cccc3Cl)Cl)c4ccccc4
Chemical ID:
4789745
Name [?]:
3-[(2,6-dichlorophenyl)methylsulfanyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3c(cccc3Cl)Cl)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17Cl2N3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.1033
Area:623.424
Solvation:-1.48233
Coulombic:-17.8675
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.362
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.75
LogP (Chemaxon):7.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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