ChemSpider 2D Image | N-Benzyl-1-(2-[4-(2-methyl-2-propanyl)phenyl]-6-{[4-(1-pyrrolidinyl)phenyl]amino}-4-pyrimidinyl)-L-prolinamide | C36H42N6O

N-Benzyl-1-(2-[4-(2-methyl-2-propanyl)phenyl]-6-{[4-(1-pyrrolidinyl)phenyl]amino}-4-pyrimidinyl)-L-prolinamide

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121931271

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, 1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[[4-(1-pyrrolidinyl)phenyl]amino]-4-pyrimidinyl]-N-(phenylmethyl)-, (2S)- [ACD/Index Name]
N-Benzyl-1-(2-[4-(2-methyl-2-propanyl)phenyl]-6-{[4-(1-pyrrolidinyl)phenyl]amino}-4-pyrimidinyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-Benzyl-1-(2-[4-(2-methyl-2-propanyl)phenyl]-6-{[4-(1-pyrrolidinyl)phenyl]amino}-4-pyrimidinyl)-L-prolinamide [ACD/IUPAC Name]
N-Benzyl-1-(2-[4-(2-méthyl-2-propanyl)phényl]-6-{[4-(1-pyrrolidinyl)phényl]amino}-4-pyrimidinyl)-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 744.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.8±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 2657.83
ACD/KOC (pH 5.5): 5095.09
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24583.28
ACD/KOC (pH 7.4): 47126.38
Polar Surface Area: 73 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 483.7±3.0 cm3

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