Chemical ID: 3854262

CCn1c(nnc1SCC)COc2ccc(cc2)Br
Chemical ID:
3854262
Name [?]:
3-[(4-bromophenoxy)methyl]-4-ethyl-5-ethylsulfanyl-1,2,4-triazole
SMILES [?]:
CCn1c(nnc1SCC)COc2ccc(cc2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H16BrN3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.8528
Area:498.099
Solvation:-2.59968
Coulombic:-21.236
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.256
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.32
LogP (Chemaxon):3.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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