ChemSpider 2D Image | N-{[3'-(4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)-3-biphenylyl]methyl}benzamide | C41H46N2O4

N-{[3'-(4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)-3-biphenylyl]methyl}benzamide

  • Molecular FormulaC41H46N2O4
  • Average mass630.815 Da
  • Monoisotopic mass630.345764 Da
  • ChemSpider ID3878387

More details:

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

Benzamide, N-[[3'-[4-[(cyclopentyl-2-propen-1-ylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index Name]
N-{[3'-(4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)-3-biphenylyl]methyl}benzamid [German] [ACD/IUPAC Name]
N-{[3'-(4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)-3-biphenylyl]methyl}benzamide [ACD/IUPAC Name]
N-{[3'-(4-{[Allyl(cyclopentyl)amino]méthyl}-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl)-3-biphénylyl]méthyl}benzamide [French] [ACD/IUPAC 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: 826.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.7±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 187.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 667.26
ACD/KOC (pH 5.5): 813.60
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 33588.18
ACD/KOC (pH 7.4): 40954.56
Polar Surface Area: 71 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 522.4±5.0 cm3

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