ChemSpider 2D Image | Ethyl 1-{[1-allyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl](phenyl)acetyl}-4-piperidinecarboxylate | C37H38N4O6

Ethyl 1-{[1-allyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl](phenyl)acetyl}-4-piperidinecarboxylate

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID22615313

More details:

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

1-{2-[1-Allyl-2,5-dioxo-4-(3-phénoxyphényl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phénylacétyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[1,2,3,4,5,7-hexahydro-2,5-dioxo-4-(3-phenoxyphenyl)-1-(2-propen-1-yl)-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylacetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[1-allyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl](phenyl)acetyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[1-allyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl](phenyl)acetyl}-4-piperidincarboxylat [German] [ACD/IUPAC 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: 864.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.4±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1017.49
ACD/KOC (pH 5.5): 4947.54
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1017.26
ACD/KOC (pH 7.4): 4946.42
Polar Surface Area: 108 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 475.7±5.0 cm3

Click to predict properties on the Chemicalize site


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