ChemSpider 2D Image | 4-[4-(2-Biphenylylmethyl)-4-methoxy-1-piperidinyl]-N'-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]benzenecarboximidamide | C40H41N5O5S2

4-[4-(2-Biphenylylmethyl)-4-methoxy-1-piperidinyl]-N'-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]benzenecarboximidamide

  • Molecular FormulaC40H41N5O5S2
  • Average mass735.914 Da
  • Monoisotopic mass735.254883 Da
  • ChemSpider ID9896540

More details:






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

4-[4-(2-Biphenylylmethyl)-4-methoxy-1-piperidinyl]-N'-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]benzenecarboximidamide [ACD/IUPAC Name]
4-[4-(2-Biphénylylméthyl)-4-méthoxy-1-pipéridinyl]-N'-[(3-nitro-4-{[2-(phénylsulfanyl)éthyl]amino}phényl)sulfonyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
4-[4-(2-Biphenylylmethyl)-4-methoxy-1-piperidinyl]-N'-[(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-[4-([1,1'-biphenyl]-2-ylmethyl)-4-methoxy-1-piperidinyl]-N'-[[3-nitro-4-[[2-(phenylthio)ethyl]amino]phenyl]sulfonyl]- [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: 906.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 502.2±37.1 °C
Index of Refraction: 1.650
Molar Refractivity: 208.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.52
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 657352.94
ACD/KOC (pH 5.5): 508083.41
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 657434.50
ACD/KOC (pH 7.4): 508146.44
Polar Surface Area: 177 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 571.8±7.0 cm3

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