7-(4-Butoxyethoxyphenyl)-1-(2-thienylcarbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3C(=O)c2cccs2)cc1- InChIKey
CJZYECUAOOQTCU-UHFFFAOYSA-N- Molecular formula
- C28H29NO5S
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- 7-(4-Butoxyethoxyphenyl)-1-(2-thienylcarbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
- IUPAC
- 7-[4-(2-butoxyethoxy)phenyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Names & synonyms
SCHEMBL6343385CJZYECUAOOQTCU-UHFFFAOYSA-N7-(4-butoxyethoxyphenyl)-1-(2-thienylcarbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 69747281
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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