ChemSpider 2D Image | 1-[2-(Diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one | C25H29N3O8

1-[2-(Diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC25H29N3O8
  • Average mass499.513 Da
  • Monoisotopic mass499.195465 Da
  • ChemSpider ID34802097

More details:

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

1-[2-(Diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-4-(3,4-diméthoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-nitrophényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-(4-hydroxy-3-nitrophenyl)- [ACD/Index 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: 678.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.9±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 372.9±3.0 cm3

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