ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide | C31H35N5O3

2-(1H-Benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2442777

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(3-methylphenyl)ethyl]-N-[1-(4-methylphenyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3-methylphenyl)ethyl]-N-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(3-méthylphényl)éthyl]-N-{1-(4-méthylphényl)-2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}acétamide [French] [ACD/IUPAC Name]
ZINC09193632

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

BAS 04885885 [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: 787.7±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: 430.2±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 651.89
ACD/KOC (pH 5.5): 3597.33
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.92
ACD/KOC (pH 7.4): 3597.52
Polar Surface Area: 89 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 423.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement