ChemSpider 2D Image | (2Z)-3-(2-Chloro-4-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one | C22H25ClN2O2

(2Z)-3-(2-Chloro-4-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one

  • Molecular FormulaC22H25ClN2O2
  • Average mass384.899 Da
  • Monoisotopic mass384.160461 Da
  • ChemSpider ID31122129
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-(2-Chlor-4-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-4-pyridinyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-4-pyridinyl)-3-[4-(2-méthyl-2-propanyl)phényl]-1-(4-morpholinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2-chloro-4-pyridinyl)-3-[4-(1,1-dimethylethyl)phenyl]-1-(4-morpholinyl)-, (2Z)- [ACD/Index Name]
(Z)-3-(4-Tert-butylphenyl)-3-(2-chloropyridin-4-yl)-1-morpholin-4-ylprop-2-en-1-one
3-(4-tert-butylphenyl)-3-(2-chloropyridin-4-yl)-1-morpholin-4-ylprop-2-en-1-one
868390-90-3 [RN]
pyrimorph

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1173.31
ACD/KOC (pH 5.5): 5478.79
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.33
ACD/KOC (pH 7.4): 5478.87
Polar Surface Area: 42 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

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