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
- Formal charge
- 0
- Complexity
- 560
Related reactions
3 records
Linked notes
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