Chemical ID: 3846440

c1ccc(cc1)CSc2nnc(n2c3cccc(c3)Cl)c4cccnc4
Chemical ID:
3846440
Name [?]:
3-[5-benzylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
SMILES [?]:
c1ccc(cc1)CSc2nnc(n2c3cccc(c3)Cl)c4cccnc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15ClN4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5572
Area:583.442
Solvation:-2.02887
Coulombic:-20.6565
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.879
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.44
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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