Basic information
- Standard SMILES
CC1=C(CC(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1- InChIKey
YJEMESISMBKYAO-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2NO4
- Average molar mass
- 356.2 g/mol
Names & identifiers
- Preferred name
- 1,4-Dihydro-2,6-dimethyl-4-(2',3'-dichorophenyl)-5-carboxymethyl-3-pyridinecarboxylic acid
- IUPAC
- 5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
Names & synonyms
SCHEMBL819493YJEMESISMBKYAO-UHFFFAOYSA-N1,4-dihydro-2,6-dimethyl-4-(2',3'-dichorophenyl)-5-carboxymethyl-3-pyridinecarboxylic acid1 ,4-dihydro-2,6-dimethyl-4-(2',3'-dichorophenyl)-5-carboxymethyl-3-pyridinecarboxylic acid
Database identifiers
- PubChem CID
- 66809656
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 585
Related reactions
5 records
Compound notes
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