4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
Basic information
- CAS
432000-33-4- Standard SMILES
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(F)cc2)cc1C- InChIKey
VOEWOONCNPHZKM-WJTDDFOZSA-N- Molecular formula
- C27H31FN2O5
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.22170026
Names & identifiers
- Preferred name
- 4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C27H31FN2O5
- Molecular weight
- 482.54
Names & synonyms
4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one432000-33-4CHEMBL1301612STK810284AKOS000526589AKOS016293659Z572215494-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one4-[(4-ethoxy-3-methylphenyl)carbonyl]-5-(4-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 4-(4-ethoxy-3-methylbenzoyl)-5-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
432000-33-4- PubChem CID
- 5733367
- ChEMBL
CHEMBL1301612- EC Number
- 134-499-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 776
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Compound notes
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