Methyl 1-allyl-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C=CCN1CCC(C(=O)OC)=Cc2cc(-c3ccc(OCCOCCC)cc3)ccc21- InChIKey
VHJALVORKRDJEN-UHFFFAOYSA-N- Molecular formula
- C26H31NO4
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- Methyl 1-allyl-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 1-prop-2-enyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6343223VHJALVORKRDJEN-UHFFFAOYSA-Nmethyl 1-allyl-7-(4-propoxyethoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69747248
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Related reactions
2 records
Compound notes
Loading…