Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(-c2ccc(OCCN3CCOCC3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1- InChIKey
OXIXGWVWAOGBGK-RUDMXATFSA-N- Molecular formula
- C32H39NO4
- Average molar mass
- 501.7 g/mol
Names & identifiers
- Preferred name
- (E)-3-[3'-adamantan-1-yl-4'-(2-morpholin-4-yl-ethoxy)biphenyl-4-yl]-acrylic acid methyl ester
- IUPAC
- methyl (E)-3-[4-[3-(1-adamantyl)-4-(2-morpholin-4-ylethoxy)phenyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL2420650OXIXGWVWAOGBGK-RUDMXATFSA-N(E)-3-[3'-adamantan-1-yl-4'-(2-morpholin-4-yl-ethoxy)biphenyl-4-yl]-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 67401549
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
Loading…