ChemSpider 2D Image | 5-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-4,6-dimethyl-2(1H)-pyridinone | C28H37BrN4O3

5-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-4,6-dimethyl-2(1H)-pyridinone

  • Molecular FormulaC28H37BrN4O3
  • Average mass557.522 Da
  • Monoisotopic mass556.204895 Da
  • ChemSpider ID23215580

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{4-[(E)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}(6-hydroxy-2,4-dimethylpyridin-3-yl)methanone
2(1H)-Pyridinone, 5-[[4-[(E)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-4,6-dimethyl- [ACD/Index Name]
5-({4-[(E)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-4,6-dimethyl-2(1H)-pyridinone [ACD/IUPAC Name]
5-({4-[(E)-(4-Bromophényl)(éthoxyimino)méthyl]-4'-méthyl-1,4'-bipipéridin-1'-yl}carbonyl)-4,6-diméthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
5-({4-[(E)-(4-Bromphenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}carbonyl)-4,6-dimethyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
methanone, (4-bromophenyl)[1'-[(6-hydroxy-2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (E)-
(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(6-hydroxy-2,4-dimethyl-pyridin-3-yl)-methanone
CHEMBL336246
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL336246/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 702.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 378.4±35.7 °C
Index of Refraction: 1.620
Molar Refractivity: 145.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 8.38
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 76.02
ACD/KOC (pH 7.4): 317.95
Polar Surface Area: 78 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 415.2±7.0 cm3

Click to predict properties on the Chemicalize site


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