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Search term: XHBNHAFKLFDKSG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,4S)-5-(2-{(3,5-dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl]amino}ethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | C32H39N7O4

2-Methyl-2-propanyl (1S,4S)-5-(2-{(3,5-dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl]amino}ethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID76770851

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-5-(2-{(3,5-Diméthoxyphényl)[3-(1-méthyl-1H-pyrazol-4-yl)-6-quinoxalinyl]amino}éthyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, 5-[2-[(3,5-dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl]amino]ethyl]-, 1,1-dimethylethyl ester, (1S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (1S,4S)-5-(2-{(3,5-dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl]amino}ethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,4S)-5-(2-{(3,5-dimethoxyphenyl)[3-(1-methyl-1H-pyrazol-4-yl)-6-chinoxalinyl]amino}ethyl)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylat [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: 763.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 164.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.98
ACD/KOC (pH 5.5): 21.77
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 195.68
ACD/KOC (pH 7.4): 1070.60
Polar Surface Area: 98 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 449.8±7.0 cm3

Click to predict properties on the Chemicalize site


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