Chemical ID: 5296228

CCc1[nH]c(nn1)SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-]
Chemical ID:
5296228
Name [?]:
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
CCc1[nH]c(nn1)SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N5O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.66139
Area:532.687
Solvation:-7.65578
Coulombic:-47.1238
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.356
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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