ChemSpider 2D Image | N-{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide | C33H45N7O2

N-{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID122886946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[6-[1,4'-bipiperidin]-1'-yl-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]-N-(5-methyl-3-isoxazolyl)-, (2S)- [ACD/Index Name]
N-{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamid [German] [ACD/IUPAC Name]
N-{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-N-(5-methyl-1,2-oxazol-3-yl)-L-prolinamide [ACD/IUPAC Name]
N-{6-(1,4'-Bipipéridin-1'-yl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-N-(5-méthyl-1,2-oxazol-3-yl)-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: 732.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 77.21
Polar Surface Area: 91 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 482.6±3.0 cm3

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