ChemSpider 2D Image | 3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-phenylpropyl bis(hydroxymethyl)carbamate | C28H39N3O7S

3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-phenylpropyl bis(hydroxymethyl)carbamate

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID8295941

More details:

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

3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-phenylpropyl bis(hydroxymethyl)carbamate [ACD/IUPAC Name]
3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-phenylpropyl-bis(hydroxymethyl)carbamat [German] [ACD/IUPAC Name]
Bis(hydroxyméthyl)carbamate de 3-[4-(éthyl{2-[4-(méthylsulfonyl)phényl]acétyl}amino)-1-pipéridinyl]-1-phénylpropyle [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(hydroxymethyl)-, 3-[4-[ethyl[2-[4-(methylsulfonyl)phenyl]acetyl]amino]-1-piperidinyl]-1-phenylpropyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 36.75
Polar Surface Area: 136 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

Click to predict properties on the Chemicalize site


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