ChemSpider 2D Image | (3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-(3-phenyl-1H-indazol-5-yl)-3-pyrrolidinecarboxamide | C34H34N8O2

(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-(3-phenyl-1H-indazol-5-yl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC34H34N8O2
  • Average mass586.686 Da
  • Monoisotopic mass586.280457 Da
  • ChemSpider ID29315049

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-(3-phenyl-1H-indazol-5-yl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-(3-phenyl-1H-indazol-5-yl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phényl]-1-pipérazinyl}éthyl)-N-(3-phényl-1H-indazol-5-yl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-(3-phenyl-1H-indazol-5-yl)-, (3R)- [ACD/Index Name]
(3R)-1-(2-Oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-(3-phenyl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
942183-80-4 [RN]
SCH772984

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 849.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.7±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.45
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 48.81
ACD/KOC (pH 7.4): 376.78
Polar Surface Area: 110 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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