ChemSpider 2D Image | 1-Ethyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C29H32F3N5O3

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

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID22614543

More details:

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

1-Ethyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-[2-(trifluormethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
1-Ethyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxo-1-phenylethyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
1-Éthyl-6-[2-(4-éthyl-1-pipérazinyl)-2-oxo-1-phényléthyl]-4-[2-(trifluorométhyl)phényl]-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-6-[2-(4-ethyl-1-piperazinyl)-2-oxo-1-phenylethyl]-3,4,6,7-tetrahydro-4-[2-(trifluoromethyl)phenyl]- [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: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 14.14
ACD/KOC (pH 5.5): 120.95
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 125.39
ACD/KOC (pH 7.4): 1072.41
Polar Surface Area: 76 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 402.3±5.0 cm3

Click to predict properties on the Chemicalize site


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