ChemSpider 2D Image | 4-[(2R)-7-[(2,2-Dimethylpropanoyl)oxy]-4-methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-3-yl]phenyl pivalate | C39H47NO6

4-[(2R)-7-[(2,2-Dimethylpropanoyl)oxy]-4-methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-3-yl]phenyl pivalate

  • Molecular FormulaC39H47NO6
  • Average mass625.794 Da
  • Monoisotopic mass625.340332 Da
  • ChemSpider ID7985099

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(2R)-7-[(2,2-Dimethylpropanoyl)oxy]-4-methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-3-yl]phenyl pivalate [ACD/IUPAC Name]
4-[(2R)-7-[(2,2-Dimethylpropanoyl)oxy]-4-methyl-2-{4-[2-(1-piperidinyl)ethoxy]phenyl}-2H-chromen-3-yl]phenylpivalat [German] [ACD/IUPAC Name]
4-[(2R)-7-[(2,2-dimethylpropanoyl)oxy]-4-methyl-2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2H-chromen-3-yl]phenyl 2,2-dimethylpropanoate
Pivalate de 4-[(2R)-7-[(2,2-diméthylpropanoyl)oxy]-4-méthyl-2-{4-[2-(1-pipéridinyl)éthoxy]phényl}-2H-chromén-3-yl]phényle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 4-[(2R)-7-(2,2-dimethyl-1-oxopropoxy)-4-methyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-3-yl]phenyl ester [ACD/Index Name]
2,2-Dimethyl-propionic acid (R)-3-[4-(2,2-dimethyl-propionyloxy)-phenyl]-4-methyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2H-chromen-7-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441622/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 179.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.41
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 2527.61
ACD/KOC (pH 5.5): 1504.22
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 92718.81
ACD/KOC (pH 7.4): 55178.49
Polar Surface Area: 74 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 553.4±3.0 cm3

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