Chemical ID: 5457601

Cn1c(nnc1SCC(=O)c2cccc(c2)[N+](=O)[O-])CNC(=O)c3ccco3
Chemical ID:
5457601
Name [?]:
N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
SMILES [?]:
Cn1c(nnc1SCC(=O)c2cccc(c2)[N+](=O)[O-])CNC(=O)c3ccco3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.76799
Area:638.311
Solvation:-10.1898
Coulombic:-60.1025
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:401.398
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):0.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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