ChemSpider 2D Image | N-Benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide | C33H45N5O3

N-Benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide

  • Molecular FormulaC33H45N5O3
  • Average mass559.742 Da
  • Monoisotopic mass559.352234 Da
  • ChemSpider ID29228347

More details:

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

6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylphenyl)-1-ethyl-1,2,3,4,5,7-hexahydro-α-(2-methylpropyl)-2,5-dioxo-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamid [German] [ACD/IUPAC Name]
N-Benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide [ACD/IUPAC Name]
N-Benzyl-N-[2-(diméthylamino)éthyl]-2-[4-(2,4-diméthylphényl)-1-éthyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-méthylpentanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 11.90
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 116.68
ACD/KOC (pH 7.4): 554.85
Polar Surface Area: 76 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 470.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement