ChemSpider 2D Image | 4-[(4R,5R)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate | C32H32ClNO4

4-[(4R,5R)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate

  • Molecular FormulaC32H32ClNO4
  • Average mass530.054 Da
  • Monoisotopic mass529.201965 Da
  • ChemSpider ID25061216
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-Chlorobenzoate de 4-[(3S,4R,5R)-3-(méthoxyméthyl)-5-(2-naphtylméthoxy)-4-pipéridinyl]benzyle [French] [ACD/IUPAC Name]
4-[(3S,4R,5R)-3-(Methoxymethyl)-5-(2-naphthylmethoxy)-4-piperidinyl]benzyl 2-chlorobenzoate [ACD/IUPAC Name]
4-[(3S,4R,5R)-3-(Methoxymethyl)-5-(2-naphthylmethoxy)-4-piperidinyl]benzyl-2-chlorbenzoat [German] [ACD/IUPAC Name]
4-[(4R,5R)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate
Benzoic acid, 2-chloro-, [4-[(3S,4R,5R)-3-(methoxymethyl)-5-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.3±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 157.88
ACD/KOC (pH 5.5): 207.54
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 5872.98
ACD/KOC (pH 7.4): 7720.54
Polar Surface Area: 57 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

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