Basic information
- Standard SMILES
O=C(Cc1ccccc1C(=O)O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1- InChIKey
ZJCQHIRZXNFIBS-VAWYXSNFSA-N- Molecular formula
- C24H22N2O3S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.13511374
Names & identifiers
- Preferred name
- (E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzoic acid
- IUPAC
- 2-[2-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2-oxoethyl]benzoic acid
Names & synonyms
SCHEMBL9094063ZJCQHIRZXNFIBS-VAWYXSNFSA-NL009933(E)-2-[2-[3-[2-[4-(cyclobuty)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzoic acid(E)-2-[2-[3-[2-[4-(cyclobutyl)-2-thiazolyl]ethenyl]phenylamino]-2-oxoethyl]benzoic acid
Database identifiers
- PubChem CID
- 20084337
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
9 records
Compound notes
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