Chemical ID: 5126697

Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)c4ccc(cc4)Cl
Chemical ID:
5126697
Name [?]:
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17Cl2N3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.6159
Area:644.854
Solvation:-1.50548
Coulombic:-17.804
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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