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]-3-phenyl-N-[2-(1-piperidinyl)ethyl]propanamide | C35H39N5O4

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

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID22724368

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]-3-phenyl-N-[2-(1-piperidinyl)ethyl]propanamid [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]-3-phenyl-N-[2-(1-piperidinyl)ethyl]propanamide [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]-3-phényl-N-[2-(1-pipéridinyl)éthyl]propanamide [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-(phenylmethyl)-N-[2-(1-piperidinyl)ethyl]- [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: 883.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 30.95
ACD/KOC (pH 7.4): 180.92
Polar Surface Area: 94 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

Click to predict properties on the Chemicalize site


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