ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-2-methyl-3,5-dinitrobenzamide | C32H38N6O7S

N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-2-methyl-3,5-dinitrobenzamide

  • Molecular FormulaC32H38N6O7S
  • Average mass650.745 Da
  • Monoisotopic mass650.252258 Da
  • ChemSpider ID121168539

More details:

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

Benzamide, N-[2-[[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-2-methyl-3,5-dinitro- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-2-methyl-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]amino}-1-oxo-2-propanyl]-2-methyl-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(4-méthoxyphényl)-2-(4-méthyl-1-pipérazinyl)éthyl]amino}-1-oxo-2-propanyl]-2-méthyl-3,5-dinitrobenzamide [French] [ACD/IUPAC 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: 817.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.4±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 176.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 30.54
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 225.30
ACD/KOC (pH 7.4): 1312.44
Polar Surface Area: 191 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 499.8±3.0 cm3

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