Chemical ID: 4788254

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4788254
Name [?]:
2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)-ethanone
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2C)SCC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.05814
Area:592.177
Solvation:-8.74627
Coulombic:-32.308
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.411
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.32
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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