ChemSpider 2D Image | 2-Methyl-2-propanyl 2-allyl-2-{[(3R,4S)-3-({[4-(allyloxy)-1-phenyl-1H-pyrazol-3-yl]carbonyl}amino)-4-(4-methoxyphenyl)-1-piperidinyl]carbonyl}-4-morpholinecarboxylate | C38H47N5O7

2-Methyl-2-propanyl 2-allyl-2-{[(3R,4S)-3-({[4-(allyloxy)-1-phenyl-1H-pyrazol-3-yl]carbonyl}amino)-4-(4-methoxyphenyl)-1-piperidinyl]carbonyl}-4-morpholinecarboxylate

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID77483059

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Allyl-2-{[(3R,4S)-3-({[4-(allyloxy)-1-phényl-1H-pyrazol-3-yl]carbonyl}amino)-4-(4-méthoxyphényl)-1-pipéridinyl]carbonyl}-4-morpholinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-allyl-2-{[(3R,4S)-3-({[4-(allyloxy)-1-phenyl-1H-pyrazol-3-yl]carbonyl}amino)-4-(4-methoxyphenyl)-1-piperidinyl]carbonyl}-4-morpholinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-allyl-2-{[(3R,4S)-3-({[4-(allyloxy)-1-phenyl-1H-pyrazol-3-yl]carbonyl}amino)-4-(4-methoxyphenyl)-1-piperidinyl]carbonyl}-4-morpholincarboxylat [German] [ACD/IUPAC Name]
4-Morpholinecarboxylic acid, 2-[[(3R,4S)-4-(4-methoxyphenyl)-3-[[[1-phenyl-4-(2-propen-1-yloxy)-1H-pyrazol-3-yl]carbonyl]amino]-1-piperidinyl]carbonyl]-2-(2-propen-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 458.0±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 191.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3036.09
ACD/KOC (pH 5.5): 10820.22
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3036.07
ACD/KOC (pH 7.4): 10820.12
Polar Surface Area: 124 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 565.3±7.0 cm3

Click to predict properties on the Chemicalize site


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