Chemical ID: 5297485

Cc1ccc(cc1)CSc2nnc(n2c3ccc(cc3)Cl)c4cccc(c4)OC
Chemical ID:
5297485
Name [?]:
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole
SMILES [?]:
Cc1ccc(cc1)CSc2nnc(n2c3ccc(cc3)Cl)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20ClN3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2105
Area:644.659
Solvation:-2.906
Coulombic:-23.6702
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.943
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.04
LogP (Chemaxon):6.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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