Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCCCN)C1c1cccc([N+](=O)[O-])c1- InChIKey
PDMPKWMGZFIFQB-UHFFFAOYSA-N- Molecular formula
- C27H39N3O6
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 1,4-Dihydro-2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(11-aminoundecyloxy)carbonyl-pyridine
- IUPAC
- 5-O-(11-aminoundecyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL9672662PDMPKWMGZFIFQB-UHFFFAOYSA-N1,4-Dihydro-2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(11-aminoundecyloxy)carbonyl-pyridine
Database identifiers
- PubChem CID
- 20132499
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 817
Related reactions
2 records
Compound notes
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