ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate | C27H41ClN4O5

2-Methyl-2-propanyl (2S)-2-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC27H41ClN4O5
  • Average mass537.091 Da
  • Monoisotopic mass536.276550 Da
  • ChemSpider ID24825552

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-(3-Chloro-2-méthylphényl)-1-pipérazinyl]carbonyl}-4-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-(3-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]-4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-(3-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-(3-chlor-2-methylphenyl)-1-piperazinyl]carbonyl}-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC 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: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1490.55
ACD/KOC (pH 5.5): 6501.63
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1491.22
ACD/KOC (pH 7.4): 6504.57
Polar Surface Area: 91 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 451.2±3.0 cm3

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