ChemSpider 2D Image | N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide | C29H30N6O6

N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide

  • Molecular FormulaC29H30N6O6
  • Average mass558.585 Da
  • Monoisotopic mass558.222656 Da
  • ChemSpider ID2442666

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
N-(6-Acetyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{1-(1-methyl-1H-pyrrol-2-yl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide [ACD/IUPAC Name]
N-(6-Acétyl-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-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 04885132 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 876.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.30
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.30
Polar Surface Area: 130 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 383.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement