Basic information
- CAS
765285-08-3- Standard SMILES
Cc1cccc(N2CCN(C(=O)c3oc4ccc(Br)cc4c3C)CC2)c1C- InChIKey
KTCAYKCZNFIJMG-UHFFFAOYSA-N- Molecular formula
- C22H23BrN2O2
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.09429
Names & identifiers
- Preferred name
- (5-Bromo-3-methyl-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
- IUPAC
- (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Names & synonyms
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanoneMLS002244909CHEMBL1885655DTXSID501322640HMS3056O13AKOS033979684765285-08-3SMR001308582Z26848724(5-Bromo-3-methyl-1-benzofuran-2-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Database identifiers
- CAS
765285-08-3- PubChem CID
- 2101596
- DTXSID
DTXSID501322640- ChEMBL
CHEMBL1885655
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Experimental & physicochemical properties
Solubility4.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…