Basic information
- Standard SMILES
C[C@@H](NCC1CCN(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)CC1c1cccc(F)c1)c1cccc2ccccc12.Cl- InChIKey
BYAREEGKUIGYSF-QWZSYQQDSA-N- Molecular formula
- C35H37ClFN3O4
- Average molar mass
- 618.1 g/mol
Names & identifiers
- Preferred name
- 4-({4-[3-(3-fluorophenyl)-4-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)piperidin-1-yl]-4-oxobutanoyl}amino)benzoic acid hydrochloride
- IUPAC
- 4-[[4-[3-(3-fluorophenyl)-4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidin-1-yl]-4-oxobutanoyl]amino]benzoic acid;hydrochloride
Names & synonyms
SCHEMBL1095001BYAREEGKUIGYSF-QWZSYQQDSA-N4-({4-[3-(3-fluorophenyl)-4-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)piperidin-1-yl]-4-oxobutanoyl}amino)benzoic acid hydrochloride
Database identifiers
- PubChem CID
- 66905798
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
Loading…