Basic information
- Standard SMILES
O=C(Cc1ccccc1CO)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1- InChIKey
DFXIIUXVOLPPKF-VAWYXSNFSA-N- Molecular formula
- C24H24N2O2S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.15584919
Names & identifiers
- Preferred name
- (E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzyl alcohol
- IUPAC
- N-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]-2-[2-(hydroxymethyl)phenyl]acetamide
Names & synonyms
SCHEMBL9256260DFXIIUXVOLPPKF-VAWYXSNFSA-NL009941(E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzyl alcohol
Database identifiers
- PubChem CID
- 44211474
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
4 records
Compound notes
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