ChemSpider 2D Image | N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)(2-~2~H)butanamide | C37H47DN4O5

N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)(2-2H)butanamide

  • Molecular FormulaC37H47DN4O5
  • Average mass629.807 Da
  • Monoisotopic mass629.368774 Da
  • ChemSpider ID77431500

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1(2H)-Pyrimidineacetamide-d, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo- [ACD/Index Name]
N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)(2-2H)butanamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)(2-2H)butanamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-4-hydroxy-1,6-diphényl-2-hexanyl]-3-méthyl-2-(2-oxotétrahydro-1(2H)-pyrimidinyl)(2-2H)butanamide [French] [ACD/IUPAC Name]
1322625-54-6 [RN]
Lopinavir-d8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 924.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 512.7±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5653.90
ACD/KOC (pH 5.5): 16885.85
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5653.90
ACD/KOC (pH 7.4): 16885.85
Polar Surface Area: 120 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 540.5±3.0 cm3

Click to predict properties on the Chemicalize site


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