Basic information
- Standard SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)CC(C(=O)OC)=CC=N3)cc1- InChIKey
ZMJUJRLRZGEDJB-UHFFFAOYSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- Methyl 7-[4-(2-butoxyethoxy)phenyl]-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-butoxyethoxy)phenyl]-5H-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6351794ZMJUJRLRZGEDJB-UHFFFAOYSA-Nmethyl 7-[4-(2-butoxyethoxy)phenyl]-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69749802
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
Loading…