ChemSpider 2D Image | (2E)-3-(3,4-Dichlorophenyl)-1-{4-[(4-{1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-indol-3-yl}-1-piperidinyl)methyl]-1-piperidinyl}-2-propen-1-one | C35H42Cl2N4O2

(2E)-3-(3,4-Dichlorophenyl)-1-{4-[(4-{1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-indol-3-yl}-1-piperidinyl)methyl]-1-piperidinyl}-2-propen-1-one

  • Molecular FormulaC35H42Cl2N4O2
  • Average mass621.640 Da
  • Monoisotopic mass620.268494 Da
  • ChemSpider ID25066271

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dichlorophenyl)-1-{4-[(4-{1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-indol-3-yl}-1-piperidinyl)methyl]-1-piperidinyl}-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3,4-Dichlorophényl)-1-{4-[(4-{1-[2-oxo-2-(1-pipéridinyl)éthyl]-1H-indol-3-yl}-1-pipéridinyl)méthyl]-1-pipéridinyl}-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(3,4-Dichlorphenyl)-1-{4-[(4-{1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-indol-3-yl}-1-piperidinyl)methyl]-1-piperidinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3,4-dichlorophenyl)-1-[4-[[4-[1-[2-oxo-2-(1-piperidinyl)ethyl]-1H-indol-3-yl]-1-piperidinyl]methyl]-1-piperidinyl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 819.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 449.6±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 175.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 17.22
ACD/KOC (pH 5.5): 36.60
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 200.86
ACD/KOC (pH 7.4): 427.00
Polar Surface Area: 49 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 480.2±7.0 cm3

Click to predict properties on the Chemicalize site


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