Basic information
- Standard SMILES
CCOC(=O)c1cc(C)n(-c2cccc(C(C)=O)c2)c1-c1ccccc1- InChIKey
OMDZPVCYCDXGFB-UHFFFAOYSA-N- Molecular formula
- C22H21NO3
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.15214353
Names & identifiers
- Preferred name
- 1-(3-Acetylphenyl)-5-methyl-2-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(3-acetylphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
Names & synonyms
SCHEMBL7170219OMDZPVCYCDXGFB-UHFFFAOYSA-N1-(3-Acetylphenyl)-5-methyl-2-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 10291358
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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