ChemSpider 2D Image | 2-{(1R)-5-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-methyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]acetamide | C29H31ClFN5O5

2-{(1R)-5-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-methyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]acetamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID129098398

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(1R)-5-[5-Chlor-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-methyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1R)-1-(3-fluor-5-methoxyphenyl)-2-hydroxyethyl]acetamid [German] [ACD/IUPAC Name]
2-{(1R)-5-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-methyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]acetamide [ACD/IUPAC Name]
2-{(1R)-5-[5-Chloro-2-(tétrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-1-méthyl-3-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-[(1R)-1-(3-fluoro-5-méthoxyphényl)-2-hydroxyéthyl]acétamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, 5-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-1-methyl-3-oxo-, (1R)- [ACD/Index 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: 150.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.57
ACD/KOC (pH 5.5): 430.37
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.57
ACD/KOC (pH 7.4): 430.42
Polar Surface Area: 126 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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