Ethyl 3-(4-methoxyphenyl)-4,5-diphenyl-1h-pyrrole-2-carboxylate
Basic information
- CAS
28506-43-6- Standard SMILES
CCOC(=O)c1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(OC)cc1- InChIKey
CSCHLWPUQYPQCW-UHFFFAOYSA-N- Molecular formula
- C26H23NO3
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.1677936
Names & identifiers
- Preferred name
- Ethyl 3-(4-methoxyphenyl)-4,5-diphenyl-1h-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-(4-methoxyphenyl)-4,5-diphenyl-1H-pyrrole-2-carboxylate
Names & synonyms
28506-43-6ethyl 3-(4-methoxyphenyl)-4,5-diphenyl-1h-pyrrole-2-carboxylateNSC131535DTXSID20299595NSC-131535
Database identifiers
- CAS
28506-43-6- PubChem CID
- 280129
- DTXSID
DTXSID20299595
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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