Basic information
- CAS
618869-27-5- Standard SMILES
CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3cccc(Oc4ccccc4)c3)sc2c1- InChIKey
DFPLGEHZUMTFMI-UHFFFAOYSA-N- Molecular formula
- C34H24N2O6S
- Average molar mass
- 588.6 g/mol
- Monoisotopic mass
- 588.13550766
Names & identifiers
- Preferred name
- 4-(1-benzofuran-2-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 3-(1-benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
- English name
- 4-(1-benzofuran-2-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C34H24N2O6S
- Molecular weight
- 588.63
Names & synonyms
4-(1-benzofuran-2-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-oneSTK705411AKOS002227684AKOS0160806223-(1-benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-phenoxyphenyl)-2H-pyrrol-5-oneAF-399/420177182H-Pyrrol-2-one, 4-(2-benzofuranylcarbonyl)-1-(6-ethoxy-2-benzothiazolyl)-1,5-dihydro-3-hydroxy-5-(3-phenoxyphenyl)-
Database identifiers
- CAS
618869-27-5- PubChem CID
- 4582815
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 742.5 · 742.5±70.0 °C(Predicted)
- Density
- 1.426 · 1.426±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…