Basic information
- Standard SMILES
Cc1c(N(Cc2ccccc2)Cc2ccc(Oc3cccc(OCCOC4CCCCO4)c3)cc2)cccc1[N+](=O)[O-]- InChIKey
RVRFXFYJXKOJFI-UHFFFAOYSA-N- Molecular formula
- C34H36N2O6
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.25733687
Names & identifiers
- Preferred name
- N-benzyl-N-(2-methyl-3-nitrophenyl)-N-(4-{3-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]phenoxy}benzyl)amine
- IUPAC
- N-benzyl-2-methyl-3-nitro-N-[[4-[3-[2-(oxan-2-yloxy)ethoxy]phenoxy]phenyl]methyl]aniline
Names & synonyms
SCHEMBL3971323RVRFXFYJXKOJFI-UHFFFAOYSA-NN-benzyl-N-(2-methyl-3-nitrophenyl)-N-(4-{3-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]phenoxy}benzyl)amine
Database identifiers
- PubChem CID
- 18512355
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 780
Related reactions
4 records
Compound notes
Loading…