ChemSpider 2D Image | N-[2-(2,4-Dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide | C23H21Cl2FN4O3

N-[2-(2,4-Dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID22724389

More details:

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

6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, N-[2-(2,4-dichlorophenyl)ethyl]-4-(4-fluorophenyl)-1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo- [ACD/Index Name]
N-[2-(2,4-Dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide [ACD/IUPAC Name]
N-[2-(2,4-Dichlorophényl)éthyl]-2-[4-(4-fluorophényl)-1-méthyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acétamide [French] [ACD/IUPAC Name]
N-[2-(2,4-Dichlorphenyl)ethyl]-2-[4-(4-fluorphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.05
ACD/KOC (pH 5.5): 892.93
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.03
ACD/KOC (pH 7.4): 892.78
Polar Surface Area: 82 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

Click to predict properties on the Chemicalize site


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