Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2cccc(OCCC)c2)cc1- InChIKey
QUHUWDIGRJTUPS-UHFFFAOYSA-N- Molecular formula
- C34H41NO5
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.29847341
Names & identifiers
- Preferred name
- Methyl 7-(4-butoxyethoxyphenyl)-1-(3-propoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-butoxyethoxy)phenyl]-1-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6351889QUHUWDIGRJTUPS-UHFFFAOYSA-Nmethyl 7-(4-butoxyethoxyphenyl)-1-(3-propoxybenzyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69749823
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 763
Related reactions
3 records
Compound notes
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