ChemSpider 2D Image | N-[3-(4-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide | C28H24N4O3

N-[3-(4-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide

  • Molecular FormulaC28H24N4O3
  • Average mass464.515 Da
  • Monoisotopic mass464.184845 Da
  • ChemSpider ID29406431

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]- [ACD/Index Name]
N-[3-(4-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[3-(4-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide [ACD/IUPAC Name]
N-[3-(4-{[(1S)-2-Hydroxy-1-phényléthyl]amino}-6-phénylfuro[2,3-d]pyrimidin-5-yl)phényl]acétamide [French] [ACD/IUPAC Name]
KJR

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 594.97
ACD/KOC (pH 5.5): 3280.86
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 652.77
ACD/KOC (pH 7.4): 3599.61
Polar Surface Area: 100 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 351.4±3.0 cm3

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