Bas 02323444
Basic information
- CAS
6652-52-4- Standard SMILES
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(F)cc2)cc1- InChIKey
NPKMDOCTOCCWQD-LSDHQDQOSA-N- Molecular formula
- C24H19FN2O3
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.13797063
Names & identifiers
- Preferred name
- Bas 02323444
- IUPAC
- (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Names & synonyms
BAS 02323444DTXSID804176776652-52-4RefChem:320935DTXCID503685265-(4-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-oneANZZPDCDQGPTDD-UHFFFAOYSA-NSTK983152AKOS000568516AKOS0162949275-(4-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-oneST037390
Show more names
AG-205/14365055SR-01000530660SR-01000530660-1Z56864475(4E)-5-(4-Fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-[(pyridin-3-yl)methyl]pyrrolidine-2,3-dione361367-62-65-(4-Fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one #5-(4-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
6652-52-4- PubChem CID
- 5351122
- DTXSID
DTXSID80417677
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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