Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3Cc2cc(OC)ccc2OC)cc1- InChIKey
DJWNJHZCYHKOBO-UHFFFAOYSA-N- Molecular formula
- C32H37NO6
- Average molar mass
- 531.6 g/mol
Names & identifiers
- Preferred name
- 7-(4-Butoxyethoxyphenyl)-1-(2,5-dimethoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
- IUPAC
- 7-[4-(2-butoxyethoxy)phenyl]-1-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid
Names & synonyms
SCHEMBL6353324DJWNJHZCYHKOBO-UHFFFAOYSA-N7-(4-butoxyethoxyphenyl)-1-(2,5-dimethoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 17824694
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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