ChemSpider 2D Image | N-(2-Aminophenyl)-N'-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]pentanediamide | C40H46N4O6

N-(2-Aminophenyl)-N'-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]pentanediamide

  • Molecular FormulaC40H46N4O6
  • Average mass678.816 Da
  • Monoisotopic mass678.341736 Da
  • ChemSpider ID4380832

More details:

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

N-(2-Aminophenyl)-N'-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]pentandiamid [German] [ACD/IUPAC Name]
N-(2-Aminophenyl)-N'-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]pentanediamide [ACD/IUPAC Name]
N-(2-Aminophényl)-N'-[(3'-{4-[4-(hydroxyméthyl)phényl]-6-[(3-hydroxy-1-pyrrolidinyl)méthyl]-1,3-dioxan-2-yl}-3-biphénylyl)méthyl]pentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-(2-aminophenyl)-N5-[[3'-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index 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: 973.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 542.4±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 193.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 6.44
ACD/KOC (pH 7.4): 58.82
Polar Surface Area: 146 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 534.4±3.0 cm3

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