Chemical ID: 5310241

Cc1ccc(cc1)CSc2nnc(n2C)Cc3cccc4c3cccc4
Chemical ID:
5310241
Name [?]:
4-methyl-3-(1-naphthylmethyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)CSc2nnc(n2C)Cc3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21N3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.3651
Area:581.774
Solvation:-2.17926
Coulombic:-15.6205
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.488
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.02
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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