ChemSpider 2D Image | Ethyl 5-({[(9H-fluoren-9-ylmethoxy)carbonyl][(1R,3R)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]amino}methyl)-1-methyl-1H-pyrazole-4-carboxylate | C34H42N4O6

Ethyl 5-({[(9H-fluoren-9-ylmethoxy)carbonyl][(1R,3R)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]amino}methyl)-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC34H42N4O6
  • Average mass602.721 Da
  • Monoisotopic mass602.310425 Da
  • ChemSpider ID65012870

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[[(1R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl][(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-1-methyl-, ethyl ester [ACD/Index Name]
5-({[(9H-Fluorén-9-ylméthoxy)carbonyl][(1R,3R)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]amino}méthyl)-1-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({[(9H-fluoren-9-ylmethoxy)carbonyl][(1R,3R)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]amino}methyl)-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-({[(9H-fluoren-9-ylmethoxy)carbonyl][(1R,3R)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]amino}methyl)-1-methyl-1H-pyrazol-4-carboxylat [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: 753.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64447.84
ACD/KOC (pH 5.5): 96385.59
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64447.49
ACD/KOC (pH 7.4): 96385.06
Polar Surface Area: 112 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 479.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement