ChemSpider 2D Image | N-Benzyl-4-{benzyl[N-isobutyl-N-(propylsulfonyl)glycyl]amino}-1-piperidinecarboxamide | C29H42N4O4S

N-Benzyl-4-{benzyl[N-isobutyl-N-(propylsulfonyl)glycyl]amino}-1-piperidinecarboxamide

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID22789494

More details:

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

1-Piperidinecarboxamide, 4-[[2-[(2-methylpropyl)(propylsulfonyl)amino]acetyl](phenylmethyl)amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-4-{benzyl[N-isobutyl-N-(propylsulfonyl)glycyl]amino}-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-Benzyl-4-{benzyl[N-isobutyl-N-(propylsulfonyl)glycyl]amino}-1-piperidinecarboxamide [ACD/IUPAC Name]
N-Benzyl-4-{benzyl[N-isobutyl-N-(propylsulfonyl)glycyl]amino}-1-pipéridinecarboxamide [French] [ACD/IUPAC 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: 1.596
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 810.19
ACD/KOC (pH 5.5): 4203.08
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 810.19
ACD/KOC (pH 7.4): 4203.08
Polar Surface Area: 98 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 448.1±5.0 cm3

Click to predict properties on the Chemicalize site


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