ChemSpider 2D Image | (2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3-methylbutanamide | C37H46N4O6

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

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID23976795

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3-methylbutanamide [ACD/IUPAC Name]
(2S)-N-[(4S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-4-hydroxy-1,6-diphényl-2-hexanyl]-2-(2,4-dioxotétrahydro-1(2H)-pyrimidinyl)-3-méthylbutanamide [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetamide, N-[(3S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2,4-dioxo-, (αS)- [ACD/Index Name]
(2S)-N-[(4S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylbutanamide
192725-39-6 [RN]
Lopinavir Metabolite M-1
LopinavirMetaboliteM-1

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 179.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.98
ACD/KOC (pH 5.5): 4844.40
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.97
ACD/KOC (pH 7.4): 4844.36
Polar Surface Area: 137 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 537.0±3.0 cm3

Click to predict properties on the Chemicalize site


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