Chemical ID: 3854446

Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SC
Chemical ID:
3854446
Name [?]:
4-benzyl-3-[(2-methylphenoxy)methyl]-5-methylsulfanyl-1,2,4-triazole
SMILES [?]:
Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.73868
Area:509.37
Solvation:-2.99556
Coulombic:-22.697
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.429
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.68
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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