ChemSpider 2D Image | N-Benzyl-N~2~-(benzylsulfonyl)-N~2~-isobutyl-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}glycinamide | C33H39N3O4S

N-Benzyl-N2-(benzylsulfonyl)-N2-isobutyl-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}glycinamide

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID2853370

More details:

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

Acetamide, N-[[1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl]methyl]-2-[(2-methylpropyl)[(phenylmethyl)sulfonyl]amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N2-(benzylsulfonyl)-N2-isobutyl-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-(benzylsulfonyl)-N2-isobutyl-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-(benzylsulfonyl)-N2-isobutyl-N-{[1-(3-méthoxybenzyl)-1H-pyrrol-2-yl]méthyl}glycinamide [French] [ACD/IUPAC 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: 738.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.582
Molar Refractivity: 167.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9700.49
ACD/KOC (pH 5.5): 24850.59
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9700.50
ACD/KOC (pH 7.4): 24850.59
Polar Surface Area: 80 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 502.7±7.0 cm3

Click to predict properties on the Chemicalize site


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