Chemical ID: 5548220

C=CCn1c(nnc1SCc2ccc(cc2)Br)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5548220
Name [?]:
4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole
SMILES [?]:
C=CCn1c(nnc1SCc2ccc(cc2)Br)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrN4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.84721
Area:597.248
Solvation:-7.084
Coulombic:-28.2709
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.68
LogP (Chemaxon):5.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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