ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-(4-{[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl}-1-piperidinyl)-4-methyl-1-oxo-2-pentanyl]carbamate | C25H38ClN3O5

2-Methyl-2-propanyl [(2S)-1-(4-{[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl}-1-piperidinyl)-4-methyl-1-oxo-2-pentanyl]carbamate

  • Molecular FormulaC25H38ClN3O5
  • Average mass496.039 Da
  • Monoisotopic mass495.250000 Da
  • ChemSpider ID126808202

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(2S)-1-(4-{[2-(4-Chlorophényl)-2-hydroxyéthyl]carbamoyl}-1-pipéridinyl)-4-méthyl-1-oxo-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-(4-{[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl}-1-piperidinyl)-4-methyl-1-oxo-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-(4-{[2-(4-chlorphenyl)-2-hydroxyethyl]carbamoyl}-1-piperidinyl)-4-methyl-1-oxo-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[4-[[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-3-methylbutyl]-, 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: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.4±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.25
ACD/KOC (pH 5.5): 1812.84
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.23
ACD/KOC (pH 7.4): 1812.70
Polar Surface Area: 108 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 417.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement