ChemSpider 2D Image | 2-Methyl-2-propanyl N-[2-(dimethylamino)ethyl]-N-{3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}glycinate | C25H41N3O5S

2-Methyl-2-propanyl N-[2-(dimethylamino)ethyl]-N-{3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}glycinate

  • Molecular FormulaC25H41N3O5S
  • Average mass495.675 Da
  • Monoisotopic mass495.276703 Da
  • ChemSpider ID69553711

More details:

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

2-Methyl-2-propanyl N-[2-(dimethylamino)ethyl]-N-{3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}glycinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[2-(dimethylamino)ethyl]-N-{3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[2-(dimethylamino)ethyl]-N-[3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Diméthylamino)éthyl]-N-{3,4-diméthyl-5-[(4-méthyl-1-pipéridinyl)sulfonyl]benzoyl}glycinate de 2-méthyl-2-propanyle [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: 624.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 10.43
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 95.23
ACD/KOC (pH 7.4): 512.10
Polar Surface Area: 96 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 435.4±3.0 cm3

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