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Basic information
- Standard SMILES
CC(C)CCN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2cc(Br)ccc21- InChIKey
XNBPKTYFFUZRFO-UHFFFAOYSA-N- Molecular formula
- C29H38BrN3O2
- Average molar mass
- 540.5 g/mol
Names & identifiers
- Preferred name
- 7-bromo-1-isopentyl-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
- IUPAC
- 7-bromo-1-(3-methylbutyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
Names & synonyms
SCHEMBL6340937XNBPKTYFFUZRFO-UHFFFAOYSA-N7-bromo-1-isopentyl-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide
Database identifiers
- PubChem CID
- 22329263
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 700
Related reactions
4 records
Compound notes
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