N,N'-bis-[2-[[5-[[Hydroxy(methyl)amino]methyl]-2-furanylmethyl]thio]ethyl]-2-nitro-1,1-ethenediamine

HCID 20559448

Basic information

Standard SMILES
CN(O)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCCSCc2ccc(CN(C)O)o2)o1
InChIKey
JBHQJZVTGMBYGX-UHFFFAOYSA-N
Molecular formula
C20H31N5O6S2
Average molar mass
501.6 g/mol
Monoisotopic mass
501.17157607

Names & identifiers

Preferred name
N,N'-bis-[2-[[5-[[Hydroxy(methyl)amino]methyl]-2-furanylmethyl]thio]ethyl]-2-nitro-1,1-ethenediamine
IUPAC
N-[[5-[2-[[1-[2-[[5-[[hydroxy(methyl)amino]methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methyl]-N-methylhydroxylamine

Names & synonyms

SCHEMBL11373579JBHQJZVTGMBYGX-UHFFFAOYSA-NN,N'-bis-[2-[[5-[[Hydroxy(methyl)amino]methyl]-2-furanylmethy]thio]ethyl]-2-nitro-1,1-ethenediamineN,N'-bis-[2-[[5-[[Hydroxy(methyl)amino]methyl]-2-furanylmethyl]thio]ethyl]-2-nitro-1,1-ethenediamine

Database identifiers

PubChem CID
20559448

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
194 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
16
Heavy atoms
33

Related reactions

3 records

Linked notes

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