Chemical ID: 4788395

Cc1ccc(cc1)c2nnc(n2c3ccccc3)SCc4cccc(c4)OC
Chemical ID:
4788395
Name [?]:
3-[(3-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(p-tolyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2c3ccccc3)SCc4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H21N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3973
Area:611.923
Solvation:-2.9008
Coulombic:-23.891
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.498
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.42
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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