ChemSpider 2D Image | (5S)-5-Benzyl-4-(cyclohexylmethyl)-1-{4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxo-2-piperazinyl]butyl}-2,3-piperazinedione | C33H48N4O4

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

  • Molecular FormulaC33H48N4O4
  • Average mass564.759 Da
  • Monoisotopic mass564.367554 Da
  • ChemSpider ID28654351

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 538.99
ACD/KOC (pH 5.5): 3139.57
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.99
ACD/KOC (pH 7.4): 3139.54
Polar Surface Area: 90 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 493.2±3.0 cm3

Click to predict properties on the Chemicalize site


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