Chemical ID: 5296740

CCn1c(nnc1SCc2cccc3c2cccc3)c4ccccc4Cl
Chemical ID:
5296740
Name [?]:
3-(2-chlorophenyl)-4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole
SMILES [?]:
CCn1c(nnc1SCc2cccc3c2cccc3)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18ClN3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.6988
Area:583.094
Solvation:-1.8786
Coulombic:-17.2433
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.907
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.81
LogP (Chemaxon):6.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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