Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1Oc1ncccc1C(=O)O- InChIKey
KPBYHESUVMZIJH-ZWKOTPCHSA-N- Molecular formula
- C27H27ClFN3O5
- Average molar mass
- 528 g/mol
- Monoisotopic mass
- 527.1623268
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-(2-[4-(4-Fluoro-Benzyl)-(2R,5S)-2,5-Dimethyl-Piperazin-1-Yl]-2-Oxo-Ethoxy}-Phenoxy)-Nicotinic Acid
- IUPAC
- 2-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenoxy]pyridine-3-carboxylic acid
Names & synonyms
2-(5-Chloro-2-(2-[4-(4-Fluoro-Benzyl)-(2R,5S)-2,5-Dimethyl-Piperazin-1-Yl]-2-Oxo-Ethoxy}-Phenoxy)-Nicotinic Acid2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-nicotinic AcidSCHEMBL6076174KPBYHESUVMZIJH-ZWKOTPCHSA-N
Database identifiers
- PubChem CID
- 69655356
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 770
Related reactions
1 records
Compound notes
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