Basic information
- CAS
485826-58-2- Standard SMILES
O=C1C2C3c4ccccc4C(Br)(c4ccccc43)C2C(=O)N1c1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
NLJHHDONRMKMKT-UHFFFAOYSA-N- Molecular formula
- C30H19BrClNO2
- Average molar mass
- 540.8 g/mol
- Monoisotopic mass
- 539.02877
Names & identifiers
- Preferred name
- 1-Bromo-17-(4'-chloro[1,1'-biphenyl]-4-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- IUPAC
- 1-bromo-17-[4-(4-chlorophenyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- English name
- 1-bromo-17-(4'-chloro[1,1'-biphenyl]-4-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- Molecular formula
- C30H19BrClNO2
- Molecular weight
- 540.83436
Names & synonyms
1-bromo-17-(4'-chloro[1,1'-biphenyl]-4-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dioneAKOS000521311ST50218174AG-690/334800151-bromo-15-[4-(4-chlorophenyl)phenyl]-15-azahexacyclo[6.6.4.1<15,18>.0<1,17>.0 <2,7>.0<9,14>]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,19-dione1-bromo-17-[4-(4-chlorophenyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Database identifiers
- CAS
485826-58-2- PubChem CID
- 3093183
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 838
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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