ChemSpider 2D Image | 3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylacrylamide | C36H42N4O6

3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylacrylamide

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID4389692

More details:

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

1H-Pyrazole-4-propanamide, 5-[4-[2-(3,5-dimethoxyphenyl)-1-[(dimethylamino)carbonyl]ethenyl]phenoxy]-N-(3-methoxypropyl)-3-methyl-1-phenyl- [ACD/Index Name]
3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylacrylamid [German] [ACD/IUPAC Name]
3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylacrylamide [ACD/IUPAC Name]
3-(3,5-Diméthoxyphényl)-2-{4-[(4-{3-[(3-méthoxypropyl)amino]-3-oxopropyl}-3-méthyl-1-phényl-1H-pyrazol-5-yl)oxy]phényl}-N,N-diméthylacrylamide [French] [ACD/IUPAC Name]
3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylprop-2-enamide
5913-71-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.3±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 178.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2344.70
ACD/KOC (pH 5.5): 8992.90
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2344.80
ACD/KOC (pH 7.4): 8993.29
Polar Surface Area: 104 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 543.1±7.0 cm3

Click to predict properties on the Chemicalize site


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