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Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2ccco2)cc1- InChIKey
JDWNVEIIYCEAJP-UHFFFAOYSA-N- Molecular formula
- C29H33NO5
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- Methyl 7-(4-butoxyethoxyphenyl)-1-(2-furylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(furan-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6344206JDWNVEIIYCEAJP-UHFFFAOYSA-Nmethyl 7-(4-butoxyethoxyphenyl)-1-(2-furylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69747487
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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