ChemSpider 2D Image | 2-[1-Methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(2-pyridinyl)ethyl]acetamide | C34H31N5O4

2-[1-Methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(2-pyridinyl)ethyl]acetamide

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID22614770

More details:

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

2-[1-Methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(2-pyridinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[1-Methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(2-pyridinyl)ethyl]acetamide [ACD/IUPAC Name]
2-[1-Méthyl-2,5-dioxo-4-(3-phénoxyphényl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phényl-N-[2-(2-pyridinyl)éthyl]acétamide [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, 1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-α-phenyl-N-[2-(2-pyridinyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 891.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 492.9±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 267.50
ACD/KOC (pH 5.5): 1751.87
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.28
ACD/KOC (pH 7.4): 2326.74
Polar Surface Area: 104 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement