2,6-DI-ME-4(1-ME-1H-Indol-2-YL)1,4-2H-pyridine-3,5-dicarboxylic acid DI-ET ester
Basic information
- CAS
883796-47-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccccc2n1C- InChIKey
AMXCHDRRXRIHEI-UHFFFAOYSA-N- Molecular formula
- C22H26N2O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.18925731
Names & identifiers
- Preferred name
- 2,6-DI-ME-4(1-ME-1H-Indol-2-YL)1,4-2H-pyridine-3,5-dicarboxylic acid DI-ET ester
- IUPAC
- diethyl 2,6-dimethyl-4-(1-methylindol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
AKOS0244216362,6-DI-ME-4(1-ME-1H-INDOL-2-YL)1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DI-ET ESTER
Database identifiers
- CAS
883796-47-2- PubChem CID
- 3606485
- EC Number
- 159-577-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 657
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…