ChemSpider 2D Image | (4R)-1-[(2S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-L-prolinamide | C23H32F3N5O4

(4R)-1-[(2S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-L-prolinamide

  • Molecular FormulaC23H32F3N5O4
  • Average mass499.526 Da
  • Monoisotopic mass499.240631 Da
  • ChemSpider ID84495893

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R)-1-[(2S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluormethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-[(2S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-L-prolinamide [ACD/IUPAC Name]
(4R)-1-[(2S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-diméthylbutanoyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluorométhyl)-7-oxabicyclo[2.2.1]hept-2-yl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethyl-1-oxobutyl]-4-hydroxy-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-, (2S,4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.16
ACD/KOC (pH 5.5): 169.91
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 169.91
Polar Surface Area: 110 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 310.7±7.0 cm3

Click to predict properties on the Chemicalize site


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