ChemSpider 2D Image | Methyl 3-{[2-(cyclohexylamino)-2-oxo-1-(4-pyridinyl)ethyl](1H-indol-3-ylacetyl)amino}benzoate | C31H32N4O4

Methyl 3-{[2-(cyclohexylamino)-2-oxo-1-(4-pyridinyl)ethyl](1H-indol-3-ylacetyl)amino}benzoate

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID2441985

More details:






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

3-{[2-(Cyclohexylamino)-2-oxo-1-(4-pyridinyl)éthyl][2-(1H-indol-3-yl)acétyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(cyclohexylamino)-2-oxo-1-(4-pyridinyl)ethyl][2-(1H-indol-3-yl)acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-{[2-(cyclohexylamino)-2-oxo-1-(4-pyridinyl)ethyl](1H-indol-3-ylacetyl)amino}benzoate [ACD/IUPAC Name]
Methyl-3-{[2-(cyclohexylamino)-2-oxo-1-(4-pyridinyl)ethyl](1H-indol-3-ylacetyl)amino}benzoat [German] [ACD/IUPAC Name]
METHYL 3-{N-[(CYCLOHEXYLCARBAMOYL)(PYRIDIN-4-YL)METHYL]-2-(1H-INDOL-3-YL)ACETAMIDO}BENZOATE

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

ASN 04882579 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.6±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.41
ACD/KOC (pH 5.5): 2353.96
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.86
ACD/KOC (pH 7.4): 2402.21
Polar Surface Area: 104 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 402.4±5.0 cm3

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