Basic information
- CAS
585550-32-9- Standard SMILES
O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1- InChIKey
AOPHYELNPJEHSH-UHFFFAOYSA-N- Molecular formula
- C17H17NO5S2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.05481499
Names & identifiers
- Preferred name
- 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
- English name
- 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C17H17NO5S2
- Molecular weight
- 379.45
Names & synonyms
585550-32-94-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-oneCHEMBL1538195HMS2313L07STL048882AKOS005702254AKOS024298024AQ-149/43372347(4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione3-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-(thiophen-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-
Database identifiers
- CAS
585550-32-9- PubChem CID
- 663185
- ChEMBL
CHEMBL1538195
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 637.6 · 637.6±55.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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