ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(2-furyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-[2-(2-methylphenyl)ethyl]acetamide | C28H31N5O4

2-(1H-Benzotriazol-1-yl)-N-{1-(2-furyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-[2-(2-methylphenyl)ethyl]acetamide

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID2442819

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(2-furanyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]-N-[2-(2-methylphenyl)ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2-furyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-[2-(2-methylphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2-furyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-[2-(2-methylphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(2-furyl)-2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}-N-[2-(2-méthylphényl)éthyl]acétamide [French] [ACD/IUPAC Name]

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

BAS 04886215 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.79
ACD/KOC (pH 5.5): 1872.29
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.81
ACD/KOC (pH 7.4): 1872.39
Polar Surface Area: 102 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 382.5±7.0 cm3

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