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

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

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID2442642

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-cyclohexyl-N-{1-(4-ethoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-cyclohexyl-N-{1-(4-ethoxyphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-cyclohexyl-N-{1-(4-éthoxyphényl)-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 04884989 [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: 778.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 368.44
ACD/KOC (pH 5.5): 2391.15
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.46
ACD/KOC (pH 7.4): 2391.26
Polar Surface Area: 99 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 398.6±7.0 cm3

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