4-(Benzyloxy)-1-(2,6-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-8-yl)pyridin-2(1H)-one
Basic information
- Standard SMILES
CN1CCCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1- InChIKey
FMGQUUVWGLSFKR-UHFFFAOYSA-N- Molecular formula
- C26H27N3O2
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-1-(2,6-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-8-yl)pyridin-2(1H)-one
- IUPAC
- 1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one
Names & synonyms
SCHEMBL1004264CHEMBL3665336FMGQUUVWGLSFKR-UHFFFAOYSA-NBDBM113625US8637501, 294-(Benzyloxy)-1-(2,6-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-8-yl)pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 49869348
- ChEMBL
CHEMBL3665336
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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