Hexanoic acid, 6-(9-bromo-5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
Basic information
- CAS
127653-87-6- Standard SMILES
O=C(O)CCCC/C=C1\c2cc(Br)ccc2NC(=O)c2ccncc21- InChIKey
IXMQYPNYDOEBPG-YIXHJXPBSA-N- Molecular formula
- C19H17BrN2O3
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.04225
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(9-bromo-5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
- IUPAC
- (6E)-6-(9-bromo-5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Names & synonyms
Hexanoic acid, 6-(9-bromo-5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-127653-87-6RefChem:10866419-Bromo-11-(5-carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one6-(9-Bromo-5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)hexanoic acidSCHEMBL9040683
Database identifiers
- CAS
127653-87-6- PubChem CID
- 6449686
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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