4-[4-[(3E)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccccc1C(C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1- InChIKey
RSVRJXDRUUJGOO-KDJFERLWSA-N- Molecular formula
- C29H26N2O4
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.18925731
Names & identifiers
- Preferred name
- 4-[4-[(3E)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
- IUPAC
- 4-[4-[(3E)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
Names & synonyms
SCHEMBL1389804
Database identifiers
- PubChem CID
- 58043341
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 847
Related reactions
1 records
Compound notes
Loading…