Basic information
- Standard SMILES
Cc1cc(/C(C[C@H](c2ccc(N3CCC(O)CC3)cc2)c2ccccc2C)=N/O)ccn1- InChIKey
LNDHSMSWBVWGRQ-JGCQVQDFSA-N- Molecular formula
- C27H31N3O2
- Average molar mass
- 429.6 g/mol
Names & identifiers
- Preferred name
- 1-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidin-4-ol
- IUPAC
- 1-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidin-4-ol
Names & synonyms
SCHEMBL1390059
Database identifiers
- PubChem CID
- 136166997
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 596
Related reactions
1 records
Compound notes
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