ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-(2-phenylethyl)acetamide | C31H35N5O3

2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-(2-phenylethyl)acetamide

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2442740

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[1-(4-ethylphenyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]-N-(2-phenylethyl)- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-(2-phenylethyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-ethylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-(2-phenylethyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-{1-(4-éthylphényl)-2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}-N-(2-phényléthyl)acétamide [French] [ACD/IUPAC Name]

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

BAS 04885563 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.1±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 152.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 922.61
ACD/KOC (pH 5.5): 4612.69
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 922.66
ACD/KOC (pH 7.4): 4612.92
Polar Surface Area: 89 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 424.2±7.0 cm3

Click to predict properties on the Chemicalize site


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