Basic information
- CAS
5972-38-3- Standard SMILES
Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1F- InChIKey
NCRBLEIELPQFFG-UHFFFAOYSA-N- Molecular formula
- C28H24Cl2FN3O
- Average molar mass
- 508.4 g/mol
- Monoisotopic mass
- 507.1280459
Names & identifiers
- Preferred name
- [5-(4-Chlorophenyl)-1-(2-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-(2-chlorophenyl)piperazin-1-yl]methanone
- IUPAC
- [5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrol-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
Names & synonyms
5972-38-3DTXSID20410369[5-(4-Chlorophenyl)-1-(2-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-(2-chlorophenyl)piperazin-1-yl]methanone
Database identifiers
- CAS
5972-38-3- PubChem CID
- 5212596
- DTXSID
DTXSID20410369
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…