Basic information
- Standard SMILES
CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2ccccc2F)cc1- InChIKey
XRAHCGGITQMMOI-UHFFFAOYSA-N- Molecular formula
- C31H34FNO4
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.24718673
Names & identifiers
- Preferred name
- Methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6350223
Database identifiers
- PubChem CID
- 22329031
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 737
Related reactions
2 records
Compound notes
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