ChemSpider 2D Image | N~2~-(Butylsulfonyl)-N-(3,4-dimethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]-N~2~-(2-methoxyethyl)glycinamide | C28H39N3O6S

N2-(Butylsulfonyl)-N-(3,4-dimethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)glycinamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID3566623

More details:

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

Acetamide, 2-[(butylsulfonyl)(2-methoxyethyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
N2-(Butylsulfonyl)-N-(3,4-dimethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)glycinamid [German] [ACD/IUPAC Name]
N2-(Butylsulfonyl)-N-(3,4-dimethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]-N2-(2-methoxyethyl)glycinamide [ACD/IUPAC Name]
N2-(Butylsulfonyl)-N-(3,4-diméthoxybenzyl)-N-[2-(1H-indol-3-yl)éthyl]-N2-(2-méthoxyéthyl)glycinamide [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: 727.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.5±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.60
ACD/KOC (pH 5.5): 3721.81
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.60
ACD/KOC (pH 7.4): 3721.81
Polar Surface Area: 110 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 447.5±3.0 cm3

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