ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-{1-(4-isopropylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-N-(tetrahydro-2-furanylmethyl)acetamide | C29H37N5O4

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

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID2442806

More details:






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

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

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

ASN 04886106 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 764.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.43
ACD/KOC (pH 5.5): 1423.01
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.44
ACD/KOC (pH 7.4): 1423.09
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 397.7±7.0 cm3

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