ChemSpider 2D Image | 1-({4-[(1-{[2-(Diethylamino)ethyl]sulfonyl}-4-piperidinyl)oxy]-2-methoxyphenyl}acetyl)-4-(2-methylphenyl)-2-piperazinecarboxamide | C32H47N5O6S

1-({4-[(1-{[2-(Diethylamino)ethyl]sulfonyl}-4-piperidinyl)oxy]-2-methoxyphenyl}acetyl)-4-(2-methylphenyl)-2-piperazinecarboxamide

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID8006402

More details:

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

1-({4-[(1-{[2-(Diethylamino)ethyl]sulfonyl}-4-piperidinyl)oxy]-2-methoxyphenyl}acetyl)-4-(2-methylphenyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1-({4-[(1-{[2-(Diethylamino)ethyl]sulfonyl}-4-piperidinyl)oxy]-2-methoxyphenyl}acetyl)-4-(2-methylphenyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
1-(2-{4-[(1-{[2-(Diéthylamino)éthyl]sulfonyl}-4-pipéridinyl)oxy]-2-méthoxyphényl}acétyl)-4-(2-méthylphényl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1-[2-[4-[[1-[[2-(diethylamino)ethyl]sulfonyl]-4-piperidinyl]oxy]-2-methoxyphenyl]acetyl]-4-(2-methylphenyl)- [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: 828.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±37.1 °C
Index of Refraction: 1.617
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 134 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 490.2±5.0 cm3

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