ChemSpider 2D Image | 2-Methyl-2-propanyl [1-(N-{[5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]carbonyl}tyrosyl)-4-piperidinyl]carbamate | C29H33F2N5O5

2-Methyl-2-propanyl [1-(N-{[5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]carbonyl}tyrosyl)-4-piperidinyl]carbamate

  • Molecular FormulaC29H33F2N5O5
  • Average mass569.600 Da
  • Monoisotopic mass569.244995 Da
  • ChemSpider ID121751727

More details:

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

[1-(N-{[5-(3,4-Difluorophényl)-1H-pyrazol-3-yl]carbonyl}tyrosyl)-4-pipéridinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-(N-{[5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]carbonyl}tyrosyl)-4-piperidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-(N-{[5-(3,4-difluorphenyl)-1H-pyrazol-3-yl]carbonyl}tyrosyl)-4-piperidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[2-[[[5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-4-piperidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 841.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 462.7±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.31
ACD/KOC (pH 5.5): 1036.35
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 55.73
ACD/KOC (pH 7.4): 500.86
Polar Surface Area: 137 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 415.3±5.0 cm3

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