Basic information
- Standard SMILES
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(F)cc1- InChIKey
HETDCNLHSCWGNG-HNNXBMFYSA-N- Molecular formula
- C22H24ClFN2O4
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.1408631
Names & identifiers
- Preferred name
- [4-chloro-2-[[(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-1-piperazinyl]methyl]phenoxy]-acetic Acid
- IUPAC
- 2-[4-chloro-2-[[(3S)-4-[2-(4-fluorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
Names & synonyms
CHEMBL1689127SCHEMBL1713638HETDCNLHSCWGNG-HNNXBMFYSA-NBDBM50339751(S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpiperazin-1-yl)methyl)phenoxy)acetic acid[4-chloro-2-[[(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-1-piperazinyl]methyl]phenoxy]-acetic Acid
Database identifiers
- PubChem CID
- 11633473
- ChEMBL
CHEMBL1689127
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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