Basic information
- Standard SMILES
CCCCN1CCC(C(=O)OC)=Cc2cc(-c3ccc(OCCOCCC)cc3)ccc21- InChIKey
HQRKDDPLWDOYQR-UHFFFAOYSA-N- Molecular formula
- C27H35NO4
- Average molar mass
- 437.6 g/mol
Names & identifiers
- Preferred name
- methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate
- IUPAC
- methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6341583HQRKDDPLWDOYQR-UHFFFAOYSA-Nmethyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 22329282
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 584
Related reactions
4 records
Compound notes
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