ChemSpider 2D Image | N-[2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)acetamide | C31H32N4O4

N-[2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)acetamide

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID2442013

More details:

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

1H-Indole-3-acetamide, N-[2-(cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
N-[2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)acetamid [German] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)acetamide [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-2-oxo-1-(3-pyridinyl)éthyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)acétamide [French] [ACD/IUPAC Name]

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

ASN 04882797 [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: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.0±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 362.53
ACD/KOC (pH 5.5): 2356.26
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.48
ACD/KOC (pH 7.4): 2381.98
Polar Surface Area: 97 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 392.3±5.0 cm3

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