ChemSpider 2D Image | (2R)-3-{4-[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,3a,7,7a-tetrahydro-6H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propoxypropanamide | C33H45N5O5

(2R)-3-{4-[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,3a,7,7a-tetrahydro-6H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propoxypropanamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID8364218
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(2R)-3-{4-[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,3a,7,7a-tetrahydro-6H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propoxypropanamid [German] [ACD/IUPAC Name]
(2R)-3-{4-[2-(5-Ethyl-1-methyl-7-oxo-3-propyl-1,3a,7,7a-tetrahydro-6H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl}-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propoxypropanamide [ACD/IUPAC Name]
(2R)-3-{4-[2-(5-Éthyl-1-méthyl-7-oxo-3-propyl-1,3a,7,7a-tétrahydro-6H-pyrazolo[4,3-d]pyrimidin-6-yl)éthoxy]phényl}-N-[(1S)-2-hydroxy-1-phényléthyl]-2-propoxypropanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-[2-(5-ethyl-1,3a,7,7a-tetrahydro-1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]-N-[(1S)-2-hydroxy-1-phenylethyl]-α-propoxy-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 166.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 94.96
ACD/KOC (pH 5.5): 900.58
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.98
ACD/KOC (pH 7.4): 919.71
Polar Surface Area: 116 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 485.8±7.0 cm3

Click to predict properties on the Chemicalize site






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