3-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
Basic information
- Standard SMILES
CC1CN(C(=O)COc2ccc(Cl)cc2CCC(=O)O)C(C)CN1Cc1ccc(F)cc1- InChIKey
MRRVWSGAWKHDRP-UHFFFAOYSA-N- Molecular formula
- C24H28ClFN2O4
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 3-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
- IUPAC
- 3-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
Database identifiers
- PubChem CID
- 21973333
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
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Related reactions
2 records
Compound notes
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