Basic information
- Standard SMILES
CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(COC)C1.Cl- InChIKey
ZQVFGYJUMVDWNU-UHFFFAOYSA-N- Molecular formula
- C29H36ClFN4O3
- Average molar mass
- 543.1 g/mol
Names & identifiers
- Preferred name
- 2-{4-[2-amino-3-(4-fluorophenyl)-propionyl]-3-methoxymethyl-piperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide HCl
- IUPAC
- 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(methoxymethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
Names & synonyms
SCHEMBL5844720ZQVFGYJUMVDWNU-UHFFFAOYSA-N2-{4-[2-amino-3-(4-fluorophenyl)-propionyl]-3-methoxymethyl-piperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide HCl
Database identifiers
- PubChem CID
- 69587735
Properties
Computed structural properties
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 747
Related reactions
2 records
Compound notes
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