Basic information
- CAS
66913-52-8- Standard SMILES
COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C(=O)N2CCCC2)c1OC- InChIKey
WAMDKQYNVFXCES-UHFFFAOYSA-N- Molecular formula
- C25H28N4O4
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.21105539
Names & identifiers
- Preferred name
- 4-((3,4-Dimethoxy-2-(1-pyrrolidinylcarbonyl)benzylidene)amino)antipyrine
- IUPAC
- 4-[[3,4-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 4-[[3,4-Dimethoxy-2-(1-pyrrolidinylcarbonyl)benzylidene]amino]antipyrine
- Molecular formula
- C25H28N4O4
- Molecular weight
- 448.51
Names & synonyms
BRN 07295534-((3,4-Dimethoxy-2-(1-pyrrolidinylcarbonyl)benzylidene)amino)antipyrineANTIPYRINE, 4-((3,4-DIMETHOXY-2-(1-PYRROLIDINYLCARBONYL)BENZYLIDENE)AMINO)-66913-52-84-[[3,4-Dimethoxy-2-(1-pyrrolidinylcarbonyl)benzylidene]amino]antipyrine3H-Pyrazol-3-one, 4-[[[3,4-dimethoxy-2-(1-pyrrolidinylcarbonyl)phenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
Database identifiers
- CAS
66913-52-8- PubChem CID
- 48368
- Nikkaji
- J62.273G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 785
Physicochemical properties
- Boiling point
- 632 · 632.0±65.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.06 · 8.06±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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