ChemSpider 2D Image | Nalpha-{[(2R)-1-(Methylsulfonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide | C23H32N6O5S

Nα-{[(2R)-1-(Methylsulfonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID22806802

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Piperazinecarboxamide, N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-1-(methylsulfonyl)-4-(4-piperidinylcarbonyl)-, (2R)- [ACD/Index Name]
Nα-{[(2R)-1-(Methylsulfonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{[(2R)-1-(Methylsulfonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide [ACD/IUPAC Name]
Nα-{[(2R)-1-(Méthylsulfonyl)-4-(4-pipéridinylcarbonyl)-2-pipérazinyl]carbonyl}-D-tryptophaneamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 353.4±5.0 cm3

Click to predict properties on the Chemicalize site


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