ChemSpider 2D Image | Ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}-3-piperidinecarboxylate | C25H32N4O7

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

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID22724430

More details:

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

1-{2-[4-(2,3-Diméthoxyphényl)-1-méthyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acétyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[4-(2,3-dimethoxyphenyl)-1,2,3,4,5,7-hexahydro-1-methyl-2,5-dioxo-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl}-3-piperidincarboxylat [German] [ACD/IUPAC 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: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 109.72
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 109.70
Polar Surface Area: 118 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 369.1±5.0 cm3

Click to predict properties on the Chemicalize site


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