ChemSpider 2D Image | 4-(Dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide | C32H33N5O3

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

  • Molecular FormulaC32H33N5O3
  • Average mass535.636 Da
  • Monoisotopic mass535.258362 Da
  • ChemSpider ID29404238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(Dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamid [German] [ACD/IUPAC Name]
4-(Dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide [ACD/IUPAC Name]
4-(Diméthylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phényléthyl]amino}-6-phénylfuro[2,3-d]pyrimidin-5-yl)phényl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]- [ACD/Index Name]
KJV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.71
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 18.73
ACD/KOC (pH 7.4): 90.18
Polar Surface Area: 104 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 424.6±3.0 cm3

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