Basic information
- CAS
445233-81-8- Standard SMILES
Cc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1C- InChIKey
PCBAJGOPPBBDDL-UHFFFAOYSA-N- Molecular formula
- C35H32BrN3O
- Average molar mass
- 590.6 g/mol
- Monoisotopic mass
- 589.17288
Names & identifiers
- Preferred name
- (4-Benzhydrylpiperazin-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone
- IUPAC
- (4-benzhydrylpiperazin-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone
- English name
- 4-[(4-benzhydryl-1-piperazinyl)carbonyl]-6-bromo-2-(3,4-dimethylphenyl)quinoline
- Molecular formula
- C35H32BrN3O
- Molecular weight
- 590.55208
Names & synonyms
(4-benzhydrylpiperazin-1-yl)-[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]methanone4-[(4-benzhydryl-1-piperazinyl)carbonyl]-6-bromo-2-(3,4-dimethylphenyl)quinolineAK-968/41024264STK332726AKOS003305399ST50941517[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl][4-(diphenylmethyl)piperazin-1-yl]methanone2-(3,4-dimethylphenyl)-6-bromo(4-quinolyl) 4-(diphenylmethyl)piperazinyl keton e445233-81-8
Database identifiers
- CAS
445233-81-8- PubChem CID
- 1763245
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 799
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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