Basic information
- Standard SMILES
O=CNc1cc([C@@H](O)CNCCc2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2)ccc1O- InChIKey
DFAGNOSRCAJRNK-MONWTHHCSA-N- Molecular formula
- C29H38N2O4
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- (5-{(1R)-2-[(2-{4-[2-(1-adamantyl)ethoxy]phenyl}ethyl)amino]-1-hydroxyethyl}-2-hydroxyphenyl)formamide
- IUPAC
- N-[5-[(1R)-2-[2-[4-[2-(1-adamantyl)ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Names & synonyms
SCHEMBL2748294DFAGNOSRCAJRNK-MONWTHHCSA-N(5-{(1R)-2-[(2-{4-[2-(1-adamantyl)ethoxy]phenyl}ethyl)amino]-1-hydroxyethyl}-2-hydroxyphenyl)formamide
Database identifiers
- PubChem CID
- 59624929
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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