ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(3,4-difluorophenyl)-4-(3-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}benzoyl)-1-piperazinecarboxylate | C32H35F3N4O5S

2-Methyl-2-propanyl 3-(3,4-difluorophenyl)-4-(3-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}benzoyl)-1-piperazinecarboxylate

  • Molecular FormulaC32H35F3N4O5S
  • Average mass644.704 Da
  • Monoisotopic mass644.228027 Da
  • ChemSpider ID128662842

More details:

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

1-Piperazinecarboxylic acid, 3-(3,4-difluorophenyl)-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(3,4-difluorophenyl)-4-(3-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}benzoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3,4-difluorphenyl)-4-(3-{[4-(4-fluorphenyl)-1-piperazinyl]sulfonyl}benzoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
3-(3,4-Difluorophényl)-4-(3-{[4-(4-fluorophényl)-1-pipérazinyl]sulfonyl}benzoyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [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: 762.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.0±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 913.97
ACD/KOC (pH 5.5): 4295.33
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.39
ACD/KOC (pH 7.4): 5373.53
Polar Surface Area: 99 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 480.2±3.0 cm3

Click to predict properties on the Chemicalize site


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