ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{N-[2-(2-isopropylphenoxy)propanoyl]methionyl}-4-piperidinyl)carbamate | C27H43N3O5S

2-Methyl-2-propanyl (1-{N-[2-(2-isopropylphenoxy)propanoyl]methionyl}-4-piperidinyl)carbamate

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID118267332

More details:

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

(1-{N-[2-(2-Isopropylphénoxy)propanoyl]méthionyl}-4-pipéridinyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{N-[2-(2-isopropylphenoxy)propanoyl]methionyl}-4-piperidinyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{N-[2-(2-isopropylphenoxy)propanoyl]methionyl}-4-piperidinyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[2-[[2-[2-(1-methylethyl)phenoxy]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]-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: 1.1±0.1 g/cm3
Boiling Point: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1940.85
ACD/KOC (pH 5.5): 7854.93
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1940.83
ACD/KOC (pH 7.4): 7854.82
Polar Surface Area: 122 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 453.8±5.0 cm3

Click to predict properties on the Chemicalize site


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