ChemSpider 2D Image | N-Benzyl-N~2~-[(2,6-diisopropylphenyl)carbamoyl]-N~2~-(2-methoxyethyl)-N-[(5-methyltetrahydro-2-thiophenyl)methyl]glycinamide | C31H45N3O3S

N-Benzyl-N2-[(2,6-diisopropylphenyl)carbamoyl]-N2-(2-methoxyethyl)-N-[(5-methyltetrahydro-2-thiophenyl)methyl]glycinamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID110240791

More details:

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

Acetamide, 2-[[[[2,6-bis(1-methylethyl)phenyl]amino]carbonyl](2-methoxyethyl)amino]-N-(phenylmethyl)-N-[(tetrahydro-5-methyl-2-thienyl)methyl]- [ACD/Index Name]
N-Benzyl-N2-[(2,6-diisopropylphenyl)carbamoyl]-N2-(2-methoxyethyl)-N-[(5-methyltetrahydro-2-thiophenyl)methyl]glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-[(2,6-diisopropylphenyl)carbamoyl]-N2-(2-methoxyethyl)-N-[(5-methyltetrahydro-2-thiophenyl)methyl]glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-[(2,6-diisopropylphényl)carbamoyl]-N2-(2-méthoxyéthyl)-N-[(5-méthyltétrahydro-2-thiophényl)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: 692.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 159.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25623.75
ACD/KOC (pH 5.5): 49805.64
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25626.29
ACD/KOC (pH 7.4): 49810.56
Polar Surface Area: 87 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 484.6±3.0 cm3

Click to predict properties on the Chemicalize site


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