Basic information
- CAS
881041-39-0- Standard SMILES
COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(Br)cc2)c1C- InChIKey
SWWPJUJWQOOATC-UHFFFAOYSA-N- Molecular formula
- C21H20BrNO2
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 397.06774
Names & identifiers
- Preferred name
- methyl 1-(4-bromophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
- IUPAC
- methyl 1-(4-bromophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylate
Names & synonyms
methyl 1-(4-bromophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate881041-39-0SCHEMBL19808412DTXSID301133152STK893819AKOS001476841
Database identifiers
- CAS
881041-39-0- PubChem CID
- 4715366
- DTXSID
DTXSID301133152
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…