ChemSpider 2D Image | 1-{1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl}-2,5-pyrrolidinedione | C25H23N3O5

1-{1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl}-2,5-pyrrolidinedione

  • Molecular FormulaC25H23N3O5
  • Average mass445.467 Da
  • Monoisotopic mass445.163757 Da
  • ChemSpider ID23209442

More details:

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

1-{1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-{1-[(3'-Nitro-4-biphenylyl)oxy]-4-(4-pyridinyl)-2-butanyl}-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-{1-[(3'-Nitro-4-biphénylyl)oxy]-4-(4-pyridinyl)-2-butanyl}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
1-{1-[(3'-nitrobiphenyl-4-yl)oxy]-4-(pyridin-4-yl)butan-2-yl}pyrrolidine-2,5-dione
2,5-Pyrrolidinedione, 1-[1-[[(3'-nitro[1,1'-biphenyl]-4-yl)oxy]methyl]-3-(4-pyridinyl)propyl]- [ACD/Index Name]
227088-95-1 [RN]
1-[1-(3'-Nitro-biphenyl-4-yloxymethyl)-3-pyridin-4-yl-propyl]-pyrrolidine-2,5-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL335550/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 109.59
ACD/KOC (pH 5.5): 707.92
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 363.39
ACD/KOC (pH 7.4): 2347.41
Polar Surface Area: 105 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 340.8±3.0 cm3

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