ChemSpider 2D Image | N-[(3S,4S)-3-{[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino}tetrahydro-2H-pyran-4-yl]acrylamide | C28H32F2N6O5

N-[(3S,4S)-3-{[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino}tetrahydro-2H-pyran-4-yl]acrylamide

  • Molecular FormulaC28H32F2N6O5
  • Average mass570.588 Da
  • Monoisotopic mass570.240234 Da
  • ChemSpider ID128942568

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Propenamide, N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]- [ACD/Index Name]
N-[(3S,4S)-3-{[6-(2,6-Difluor-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino}tetrahydro-2H-pyran-4-yl]acrylamid [German] [ACD/IUPAC Name]
N-[(3S,4S)-3-{[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino}tetrahydro-2H-pyran-4-yl]acrylamide [ACD/IUPAC Name]
N-[(3S,4S)-3-{[6-(2,6-Difluoro-3,5-diméthoxyphényl)-8-(3-méthoxy-3-méthyl-1-azétidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino}tétrahydro-2H-pyran-4-yl]acrylamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.49
ACD/KOC (pH 5.5): 390.52
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.96
ACD/KOC (pH 7.4): 396.73
Polar Surface Area: 120 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

Click to predict properties on the Chemicalize site


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