Basic information
- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1OCCCCN- InChIKey
PGADVRVMEWQDRP-UHFFFAOYSA-N- Molecular formula
- C23H31N3O7
- Average molar mass
- 461.5 g/mol
Names & identifiers
- Preferred name
- Diethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10693040PGADVRVMEWQDRP-UHFFFAOYSA-Ndiethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 20151528
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 747
Related reactions
2 records
Compound notes
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