Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (E)-
Basic information
- CAS
127653-96-7- Standard SMILES
O=C(O)CCCC/C=C1\c2ccccc2NC(=O)c2ccncc21- InChIKey
OILSYRPXFDCZSX-AWNIVKPZSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (E)-
- IUPAC
- (6E)-6-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Names & synonyms
Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (E)-127653-96-7RefChem:1086630(E)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one(E)-6-(5,6-Dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)hexanoic acidSCHEMBL9042069
Database identifiers
- CAS
127653-96-7- PubChem CID
- 6449693
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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