Basic information
- CAS
618872-48-3- Standard SMILES
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccc(O)c3)sc2c1- InChIKey
CWGJFNJCDAHRJF-UHFFFAOYSA-N- Molecular formula
- C27H18N2O5S
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.09364285
Names & identifiers
- Preferred name
- 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
- English name
- 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C27H18N2O5S
- Molecular weight
- 482.51
Names & synonyms
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-oneSCHEMBL1943285CHEMBL4078821STK799885AKOS002221390AKOS0160810013-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-oneAF-399/420175002H-Pyrrol-2-one, 4-(2-benzofuranylcarbonyl)-1,5-dihydro-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-2-benzothiazolyl)-
Database identifiers
- CAS
618872-48-3- PubChem CID
- 3412873
- ChEMBL
CHEMBL4078821
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 895
Physicochemical properties
- Boiling point
- 697 · 697.0±65.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…