Basic information
- CAS
237430-04-5- Standard SMILES
O=C1Cc2c([nH]c3c(Br)cccc23)-c2ccccc2N1- InChIKey
YKGKBQYSHBGZQB-UHFFFAOYSA-N- Molecular formula
- C16H11BrN2O
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.00548
Names & identifiers
- Preferred name
- 11-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
- IUPAC
- 11-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
Names & synonyms
NSC673433CHEMBL31891111-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one11-bromopaulloneBDBM7291SCHEMBL5690717SCHEMBL30319798DTXSID40119541411-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-oneNSC 673433NSC-673433237430-04-5
Show more names
NCI60_02600916-bromo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
Database identifiers
- CAS
237430-04-5- PubChem CID
- 384146
- DTXSID
DTXSID401195414- ChEMBL
CHEMBL318911- Nikkaji
- J1.159.179E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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