ChemSpider 2D Image | 1-Ethyl-6-[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C33H35N5O4

1-Ethyl-6-[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID22614297

More details:

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

1-Ethyl-6-[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
1-Ethyl-6-[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
1-Éthyl-6-[2-(4-méthyl-1-pipérazinyl)-2-oxo-1-phényléthyl]-4-(3-phénoxyphényl)-3,4,6,7-tétrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 1-ethyl-3,4,6,7-tetrahydro-6-[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)- [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: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 10.34
ACD/KOC (pH 5.5): 80.79
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 156.82
ACD/KOC (pH 7.4): 1224.88
Polar Surface Area: 85 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

Click to predict properties on the Chemicalize site


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