(R)-3'-[[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cccc(-c2cccc(NCCNC[C@@H](O)COc3ccccc3)c2)c1- InChIKey
ZYUOCSYJASUBQT-HSZRJFAPSA-N- Molecular formula
- C25H28N2O4
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- (R)-3'-[[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic acid methyl ester
- IUPAC
- methyl 3-[3-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethylamino]phenyl]benzoate
Names & synonyms
SCHEMBL6434599ZYUOCSYJASUBQT-HSZRJFAPSA-N(R)-3'-[[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 54573255
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 512
Related reactions
1 records
Compound notes
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