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

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

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID2279490

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(2,3-dioxo-1-piperazinyl)-3-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2S,4S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenyl-2-hexanyl]-2-(2,3-dioxo-1-piperazinyl)-3-methylbutanamide [ACD/IUPAC Name]
(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2,3-dioxopiperazin-1-yl)-3-methylbutanamide
(2S)-N-[(2S,4S,5S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-4-hydroxy-1,6-diphényl-2-hexanyl]-2-(2,3-dioxo-1-pipérazinyl)-3-méthylbutanamide [French] [ACD/IUPAC Name]
1-Piperazineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-α-(1-methylethyl)-2,3-dioxo-, (αS)- [ACD/Index Name]
1-Piperazineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-α(1-methylethyl)-2,3-dioxo-, (α1S)-
N-[(3S,5S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-1-((S)-phenylmethyl)-pentyl]-2-(2,3-dioxo-piperazin-1-yl)-3-(S)-methyl-butyramide

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

AIDS211893 [DBID]
AIDS-211893 [DBID]

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): 3.85
ACD/BCF (pH 5.5): 494.65
ACD/KOC (pH 5.5): 2952.43
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 494.64
ACD/KOC (pH 7.4): 2952.36
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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