Methyl 7-(4-butoxyethoxyphenyl)-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3Cc2ccccn2)cc1- InChIKey
QRJMSRGIEQIZCS-UHFFFAOYSA-N- Molecular formula
- C30H34N2O4
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.25185757
Names & identifiers
- Preferred name
- Methyl 7-(4-butoxyethoxyphenyl)-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6343410QRJMSRGIEQIZCS-UHFFFAOYSA-Nmethyl 7-(4-butoxyethoxyphenyl)-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69747291
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 690
Related reactions
1 records
Compound notes
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