Methyl 1-(allyloxycarbonyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

HCID 22328895
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Basic information

Standard SMILES
C=CCOC(=O)N1CCC(C(=O)OC)=Cc2cc(-c3ccc(OCCOCCCC)cc3)ccc21
InChIKey
HLOSIVCAEZTYMB-UHFFFAOYSA-N
Molecular formula
C28H33NO6
Average molar mass
479.6 g/mol
Monoisotopic mass
479.23078777

Names & identifiers

Preferred name
Methyl 1-(allyloxycarbonyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate
IUPAC
4-O-methyl 1-O-prop-2-enyl 7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Names & synonyms

SCHEMBL6340452HLOSIVCAEZTYMB-UHFFFAOYSA-Nmethyl 1-(allyloxycarbonyl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Database identifiers

PubChem CID
22328895

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
74.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
35

Related reactions

4 records
New reaction record

Compound notes

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