ChemSpider 2D Image | N~2~-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~2~-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}-N-isobutylglycinamide | C32H46ClN3O4S

N2-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N2-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}-N-isobutylglycinamide

  • Molecular FormulaC32H46ClN3O4S
  • Average mass604.243 Da
  • Monoisotopic mass603.289734 Da
  • ChemSpider ID2915493

More details:

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

Acetamide, 2-[butyl[[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl]amino]-N-[[1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-N-(2-methylpropyl)- [ACD/Index Name]
N2-Butyl-N-{[1-(2-chlorbenzyl)-1H-pyrrol-2-yl]methyl}-N2-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}-N-isobutylglycinamid [German] [ACD/IUPAC Name]
N2-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N2-{[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}-N-isobutylglycinamide [ACD/IUPAC Name]
N2-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]méthyl}-N2-{[(7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl)méthyl]sulfonyl}-N-isobutylglycinamide [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: 711.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.9±35.7 °C
Index of Refraction: 1.593
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5277.08
ACD/KOC (pH 5.5): 16072.46
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5277.09
ACD/KOC (pH 7.4): 16072.46
Polar Surface Area: 88 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 495.7±7.0 cm3

Click to predict properties on the Chemicalize site


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