ChemSpider 2D Image | N-[(1S)-1-[[(1S)-1-[(2S,4R)-2-[[(1S)-1-formylpropyl]carbamoyl]-4-[(3-phenoxyphenyl)methoxy]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide | C37H46N6O7

N-[(1S)-1-[[(1S)-1-[(2S,4R)-2-[[(1S)-1-formylpropyl]carbamoyl]-4-[(3-phenoxyphenyl)methoxy]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID442444

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-(pyrazinylcarbonyl)-L-valyl-L-valyl-N-[(1S)-1-formylpropyl]-4-[(3-phenoxyphenyl)methoxy]-, (4R)-

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

AIDS169972 [DBID]
AIDS-169972 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 938.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 521.5±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 185.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.96
ACD/KOC (pH 5.5): 891.77
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.96
ACD/KOC (pH 7.4): 891.74
Polar Surface Area: 169 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 544.4±5.0 cm3

Click to predict properties on the Chemicalize site


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