Chemical ID: 4135618

c1ccc(cc1)c2nnc(n2c3ccccc3)SCc4ccc(c(c4)Cl)Cl
Chemical ID:
4135618
Name [?]:
3-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)c2nnc(n2c3ccccc3)SCc4ccc(c(c4)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15Cl2N3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.7982
Area:614.75
Solvation:-1.57057
Coulombic:-18.1396
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.335
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.31
LogP (Chemaxon):6.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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