ChemSpider 2D Image | 7-(2,2-Dimethylpropyl)-6-({1'-[2-(4-morpholinyl)ethyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | C31H39N7O2

7-(2,2-Dimethylpropyl)-6-({1'-[2-(4-morpholinyl)ethyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID8500505

More details:

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

7-(2,2-Dimethylpropyl)-6-({1'-[2-(4-morpholinyl)ethyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-carbonitril [German] [ACD/IUPAC Name]
7-(2,2-Dimethylpropyl)-6-({1'-[2-(4-morpholinyl)ethyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile [ACD/IUPAC Name]
7-(2,2-Diméthylpropyl)-6-({1'-[2-(4-morpholinyl)éthyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}méthyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-2-carbonitrile, 7-(2,2-dimethylpropyl)-6-[[1'-[2-(4-morpholinyl)ethyl]-2-oxospiro[3H-indole-3,4'-piperidin]-1(2H)-yl]methyl]- [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: 767.4±70.0 °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: 417.9±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 156.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 11.82
ACD/KOC (pH 7.4): 116.82
Polar Surface Area: 91 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 421.0±7.0 cm3

Click to predict properties on the Chemicalize site


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