5-{3-[3-[Hydroxyimino]-3-(2-methyl-pyridin-4-yl)-1-o-tolyl-propyl]-phenyl}-pyridine-2-carboxylic acid
Basic information
- Standard SMILES
Cc1cc(C(CC(c2cccc(-c3ccc(C(=O)O)nc3)c2)c2ccccc2C)=NO)ccn1- InChIKey
CFNGGUFZLITYAP-UHFFFAOYSA-N- Molecular formula
- C28H25N3O3
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.18959167
Names & identifiers
- Preferred name
- 5-{3-[3-[Hydroxyimino]-3-(2-methyl-pyridin-4-yl)-1-o-tolyl-propyl]-phenyl}-pyridine-2-carboxylic acid
- IUPAC
- 5-[3-[3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL359460CFNGGUFZLITYAP-UHFFFAOYSA-N5-{3-[3-[Hydroxyimino]-3-(2-methyl-pyridin-4-yl)-1-o-tolyl-propyl]-phenyl}-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 136359999
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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