Basic information
- CAS
898731-76-5- Standard SMILES
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3O)oc2c1- InChIKey
BARFKNPWKQAGLB-UHFFFAOYSA-N- Molecular formula
- C28H21N3O4S
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.12527733
Names & identifiers
- Preferred name
- N-[[[3-Hydroxy-4-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-3-(5-phenyl-2-furanyl)-2-propenamide
- IUPAC
- N-[[3-hydroxy-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
Names & synonyms
DTXSID101110879898731-76-5N-[[[3-Hydroxy-4-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-3-(5-phenyl-2-furanyl)-2-propenamide
Database identifiers
- CAS
898731-76-5- PubChem CID
- 165367656
- DTXSID
DTXSID101110879
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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