Basic information
- CAS
619289-58-6- Standard SMILES
CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1- InChIKey
UKBQILWQTWFOAB-UHFFFAOYSA-N- Molecular formula
- C25H24N2O6S
- Average molar mass
- 480.5 g/mol
Names & identifiers
- Preferred name
- 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
- English name
- 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C25H24N2O6S
- Molecular weight
- 480.53
Names & synonyms
619289-58-61-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-oneCHEMBL1580853HMS2974K05STK800129AKOS002222848AKOS016075975AF-399/42048188Z577867261-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1-(5-acetyl-4-methyl-2-thiazolyl)-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-5-(3-propoxyphenyl)-
Database identifiers
- CAS
619289-58-6- ChEMBL
CHEMBL1580853
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 847
Physicochemical properties
- Boiling point
- 648.2 · 648.2±65.0 °C(Predicted)
- Density
- 1.355 · 1.355±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
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