ChemSpider 2D Image | (2S)-2-Amino-N-[(1R,2S)-7,7-dimethyl-1-({[4-(2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide | C26H42N4O5S2

(2S)-2-Amino-N-[(1R,2S)-7,7-dimethyl-1-({[4-(2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide

  • Molecular FormulaC26H42N4O5S2
  • Average mass554.766 Da
  • Monoisotopic mass554.259644 Da
  • ChemSpider ID8069558
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(2S)-2-Amino-N-[(1R,2S)-7,7-dimethyl-1-({[4-(2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamid [German] [ACD/IUPAC Name]
(2S)-2-Amino-N-[(1R,2S)-7,7-dimethyl-1-({[4-(2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide [ACD/IUPAC Name]
(2S)-2-Amino-N-[(1R,2S)-7,7-diméthyl-1-({[4-(2-méthylphényl)-1-pipérazinyl]sulfonyl}méthyl)bicyclo[2.2.1]hept-2-yl]-4-(méthylsulfonyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 2-amino-N-[(1R,2S)-7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.90
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 122.96
Polar Surface Area: 147 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 420.7±5.0 cm3

Click to predict properties on the Chemicalize site






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