ChemSpider 2D Image | 2-Methyl-2-propanyl [1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}valyl)-4-piperidinyl]carbamate | C26H41N3O8S

2-Methyl-2-propanyl [1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}valyl)-4-piperidinyl]carbamate

  • Molecular FormulaC26H41N3O8S
  • Average mass555.684 Da
  • Monoisotopic mass555.261414 Da
  • ChemSpider ID121702360

More details:

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

[1-(N-{3-[(3,4-Diméthoxyphényl)sulfonyl]propanoyl}valyl)-4-pipéridinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}valyl)-4-piperidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}valyl)-4-piperidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[2-[[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]amino]-3-methyl-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: 1.2±0.1 g/cm3
Boiling Point: 775.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.0±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.52
ACD/KOC (pH 5.5): 373.37
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.52
ACD/KOC (pH 7.4): 373.37
Polar Surface Area: 149 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 447.7±5.0 cm3

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