ChemSpider 2D Image | N-(2-Aminophenyl)-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1-piperidinylmethyl)-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide | C43H52N4O5

N-(2-Aminophenyl)-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1-piperidinylmethyl)-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID5108223
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Heptanediamide, N1-(2-aminophenyl)-N7-[[3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1-piperidinylmethyl)-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index Name]
N-(2-Aminophenyl)-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1-piperidinylmethyl)-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptandiamid [German] [ACD/IUPAC Name]
N-(2-Aminophenyl)-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(1-piperidinylmethyl)-1,3-dioxan-2-yl]-3-biphenylyl}methyl)heptanediamide [ACD/IUPAC Name]
N-(2-Aminophényl)-N'-({3'-[(2S,4R,6S)-4-[4-(hydroxyméthyl)phényl]-6-(1-pipéridinylméthyl)-1,3-dioxan-2-yl]-3-biphénylyl}méthyl)heptanediamide [French] [ACD/IUPAC Name]
DIOX-H_003813

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

Density: 1.2±0.1 g/cm3
Boiling Point: 948.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 527.5±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 205.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 23.44
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 253.58
ACD/KOC (pH 7.4): 691.37
Polar Surface Area: 126 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 588.2±3.0 cm3

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