ChemSpider 2D Image | (5S)-5-Benzyl-1-{4-[(2R)-5,6-dioxo-1-(2-phenylethyl)-2-piperazinyl]butyl}-4-(2-phenylethyl)-2,3-piperazinedione | C35H40N4O4

(5S)-5-Benzyl-1-{4-[(2R)-5,6-dioxo-1-(2-phenylethyl)-2-piperazinyl]butyl}-4-(2-phenylethyl)-2,3-piperazinedione

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID29405919

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-Benzyl-1-{4-[(2R)-5,6-dioxo-1-(2-phenylethyl)-2-piperazinyl]butyl}-4-(2-phenylethyl)-2,3-piperazindion [German] [ACD/IUPAC Name]
(5S)-5-Benzyl-1-{4-[(2R)-5,6-dioxo-1-(2-phenylethyl)-2-piperazinyl]butyl}-4-(2-phenylethyl)-2,3-piperazinedione [ACD/IUPAC Name]
(5S)-5-Benzyl-1-{4-[(2R)-5,6-dioxo-1-(2-phényléthyl)-2-pipérazinyl]butyl}-4-(2-phényléthyl)-2,3-pipérazinedione [French] [ACD/IUPAC Name]
2,3-Piperazinedione, 1-[4-[(2R)-5,6-dioxo-1-(2-phenylethyl)-2-piperazinyl]butyl]-4-(2-phenylethyl)-5-(phenylmethyl)-, (5S)- [ACD/Index Name]

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: 1.588
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.06
ACD/KOC (pH 5.5): 1722.82
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.06
ACD/KOC (pH 7.4): 1722.80
Polar Surface Area: 90 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 489.6±3.0 cm3

Click to predict properties on the Chemicalize site


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