1-(3-Methoxybenzyl)-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Basic information
- Standard SMILES
CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3Cc2cccc(OC)c2)cc1- InChIKey
KLWHRQHZMDQQDK-UHFFFAOYSA-N- Molecular formula
- C30H33NO5
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.23587315
Names & identifiers
- Preferred name
- 1-(3-Methoxybenzyl)-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
- IUPAC
- 1-[(3-methoxyphenyl)methyl]-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid
Names & synonyms
SCHEMBL6343774KLWHRQHZMDQQDK-UHFFFAOYSA-N1-(3-methoxybenzyl)-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 69747381
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 703
Related reactions
2 records
Compound notes
Loading…