ChemSpider 2D Image | (2E)-N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide | C30H38N4O4

(2E)-N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID4832296

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]acrylamide [ACD/IUPAC Name]
(2E)-N-[2,5-Diéthoxy-4-(4-morpholinyl)phényl]-3-[3,5-diméthyl-1-(4-méthylbenzyl)-1H-pyrazol-4-yl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 815.28
ACD/KOC (pH 5.5): 2301.55
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6288.25
ACD/KOC (pH 7.4): 17751.91
Polar Surface Area: 78 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 444.2±7.0 cm3

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