ChemSpider 2D Image | Methyl (2E)-3-{3-[{[(3S,4R)-3-acetoxy-8-methoxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-7-yl]methyl}(benzoyl)amino]phenyl}acrylate | C37H42N2O7

Methyl (2E)-3-{3-[{[(3S,4R)-3-acetoxy-8-methoxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-7-yl]methyl}(benzoyl)amino]phenyl}acrylate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID9279265

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-3-{3-[{[(3S,4R)-3-Acétoxy-8-méthoxy-2,2-diméthyl-4-(1-pipéridinyl)-3,4-dihydro-2H-chromén-7-yl]méthyl}(benzoyl)amino]phényl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-[[[(3S,4R)-3-(acetyloxy)-3,4-dihydro-8-methoxy-2,2-dimethyl-4-(1-piperidinyl)-2H-1-benzopyran-7-yl]methyl]benzoylamino]phenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{3-[{[(3S,4R)-3-acetoxy-8-methoxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-7-yl]methyl}(benzoyl)amino]phenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{3-[{[(3S,4R)-3-acetoxy-8-methoxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-7-yl]methyl}(benzoyl)amino]phenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 175.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 103.31
ACD/KOC (pH 5.5): 280.71
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 3926.69
ACD/KOC (pH 7.4): 10670.00
Polar Surface Area: 95 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 499.5±5.0 cm3

Click to predict properties on the Chemicalize site


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