Chemical ID: 5298850

Cc1ccc(cc1)n2c(nnc2SCc3ccccc3Cl)c4cccc(c4)C
Chemical ID:
5298850
Name [?]:
3-[(2-chlorophenyl)methylsulfanyl]-5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccccc3Cl)c4cccc(c4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20ClN3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.0196
Area:620.732
Solvation:-1.49866
Coulombic:-17.6651
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.944
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.56
LogP (Chemaxon):7.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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