Basic information
- Standard SMILES
CCCCCCCCCCCCCCCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(OCC)c1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC- InChIKey
BUXCOUWGNJDOJO-UHFFFAOYSA-N- Molecular formula
- C36H55N3O9
- Average molar mass
- 673.8 g/mol
Names & identifiers
- Preferred name
- Diethyl 1,4-dihydro-4-(2'-ethoxy-3',5'-dinitro-6'-pentadecylphenyl)-2,6-dimethyl-3,5-pyridine dicarboxylate
- IUPAC
- diethyl 4-(2-ethoxy-3,5-dinitro-6-pentadecylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL489502BUXCOUWGNJDOJO-UHFFFAOYSA-Ndiethyl 1,4-dihydro-4-(2'-ethoxy-3',5'-dinitro-6'-pentadecylphenyl)-2,6-dimethyl-3,5-pyridine dicarboxylate
Database identifiers
- PubChem CID
- 10175604
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
3 records
Compound notes
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