ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-methoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide | C30H31N5O6

N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-methoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID2442620

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-methoxyphenyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-methoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-methoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(1H-benzotriazol-1-yl)-N-{1-(4-méthoxyphényl)-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 04884922 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 831.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.6±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.30
ACD/KOC (pH 5.5): 723.10
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.30
ACD/KOC (pH 7.4): 723.14
Polar Surface Area: 117 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 398.9±7.0 cm3

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