ChemSpider 2D Image | Pentafluorophenyl N-benzyl-3-(4-{[1-(4-methyl-1-piperazinyl)-2-propanyl]carbamoyl}-1,3-oxazol-2-yl)alaninate | C28H30F5N5O4

Pentafluorophenyl N-benzyl-3-(4-{[1-(4-methyl-1-piperazinyl)-2-propanyl]carbamoyl}-1,3-oxazol-2-yl)alaninate

  • Molecular FormulaC28H30F5N5O4
  • Average mass595.561 Da
  • Monoisotopic mass595.221802 Da
  • ChemSpider ID8487714

More details:

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

2-Oxazolepropanoic acid, 4-[[[1-methyl-2-(4-methyl-1-piperazinyl)ethyl]amino]carbonyl]-α-[(phenylmethyl)amino]-, 2,3,4,5,6-pentafluorophenyl ester [ACD/Index Name]
N-Benzyl-3-(4-{[1-(4-méthyl-1-pipérazinyl)-2-propanyl]carbamoyl}-1,3-oxazol-2-yl)alaninate de pentafluorophényle [French] [ACD/IUPAC Name]
Pentafluorophenyl N-benzyl-3-(4-{[1-(4-methyl-1-piperazinyl)-2-propanyl]carbamoyl}-1,3-oxazol-2-yl)alaninate [ACD/IUPAC Name]
Pentafluorphenyl-N-benzyl-3-(4-{[1-(4-methyl-1-piperazinyl)-2-propanyl]carbamoyl}-1,3-oxazol-2-yl)alaninat [German] [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: 706.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 40.18
ACD/KOC (pH 7.4): 366.88
Polar Surface Area: 100 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

Click to predict properties on the Chemicalize site


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