ChemSpider 2D Image | 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-methyl-2-propanyl)phenyl]-2-(1-pyrrolidinyl)ethyl}-1,2-oxazole-3-carboxamide | C28H33N3O4

5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-methyl-2-propanyl)phenyl]-2-(1-pyrrolidinyl)ethyl}-1,2-oxazole-3-carboxamide

  • Molecular FormulaC28H33N3O4
  • Average mass475.579 Da
  • Monoisotopic mass475.247101 Da
  • ChemSpider ID21859391

More details:

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

3-Isoxazolecarboxamide, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[4-(1,1-dimethylethyl)phenyl]-2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-methyl-2-propanyl)phenyl]-2-(1-pyrrolidinyl)ethyl}-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-methyl-2-propanyl)phenyl]-2-(1-pyrrolidinyl)ethyl}-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-méthyl-2-propanyl)phényl]-2-(1-pyrrolidinyl)éthyl}-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
(5-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)isoxazol-3-yl)-N-{2-[4-(tert-butyl)phenyl]-2-pyrrolidinylethyl}carboxamide
N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 7.11
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 52.43
ACD/KOC (pH 7.4): 261.81
Polar Surface Area: 77 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 397.0±3.0 cm3

Click to predict properties on the Chemicalize site


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