Basic information
- Standard SMILES
COc1ccc2c(C(=O)c3ccc(OCCN4CCCCCC4)cc3)c(O)ccc2c1- InChIKey
IBTPKXIQSFGMOH-UHFFFAOYSA-N- Molecular formula
- C26H29NO4
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- [4-(2-Azepan-1-yl-ethoxy)-phenyl]-(2-hydroxy-6-methoxy-naphthalen-1-yl)-methanone
- IUPAC
- [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-hydroxy-6-methoxynaphthalen-1-yl)methanone
Names & synonyms
SCHEMBL1359326IBTPKXIQSFGMOH-UHFFFAOYSA-N[4-(2-azepan-1-yl-ethoxy)-phenyl]-(2-hydroxy-6-methoxy-naphthalen-1-yl)-methanone
Database identifiers
- PubChem CID
- 67004584
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
Loading…