ChemSpider 2D Image | N-{1-[4-(4-Methoxy-3-methylbenzoyl)-1-piperidinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2-methyl-3,5-dinitrobenzamide | C27H32N4O8S

N-{1-[4-(4-Methoxy-3-methylbenzoyl)-1-piperidinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2-methyl-3,5-dinitrobenzamide

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID122302447

More details:

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

Benzamide, N-[1-[[4-(4-methoxy-3-methylbenzoyl)-1-piperidinyl]carbonyl]-3-(methylthio)propyl]-2-methyl-3,5-dinitro- [ACD/Index Name]
N-{1-[4-(4-Methoxy-3-methylbenzoyl)-1-piperidinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2-methyl-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-{1-[4-(4-Methoxy-3-methylbenzoyl)-1-piperidinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2-methyl-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-{1-[4-(4-Méthoxy-3-méthylbenzoyl)-1-pipéridinyl]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-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: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 770.01
ACD/KOC (pH 5.5): 4052.81
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 769.96
ACD/KOC (pH 7.4): 4052.53
Polar Surface Area: 193 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 434.6±3.0 cm3

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