ChemSpider 2D Image | 4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione | C29H35N3O7

4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID3023227

More details:

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

2,3-Pyrrolidinedione, 4-[(4-butoxy-3-methylphenyl)hydroxymethylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)- [ACD/Index Name]
4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylen]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[(4-Butoxy-3-méthylphényl)(hydroxy)méthylène]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.6±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 40.10
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 101.24
ACD/KOC (pH 7.4): 800.41
Polar Surface Area: 125 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 425.9±3.0 cm3

Click to predict properties on the Chemicalize site


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