ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(2-methylphenyl)ethyl]-N-{1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide | C29H34N6O3

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

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2442669

More details:

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

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

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

ASN 04885162 [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: 794.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 147.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.82
ACD/KOC (pH 5.5): 1576.17
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.84
ACD/KOC (pH 7.4): 1576.25
Polar Surface Area: 94 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

Click to predict properties on the Chemicalize site


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