ChemSpider 2D Image | N-[2-(2-Chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide | C24H24ClN3O4

N-[2-(2-Chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide

  • Molecular FormulaC24H24ClN3O4
  • Average mass453.918 Da
  • Monoisotopic mass453.145538 Da
  • ChemSpider ID21660873

More details:

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

3-Isoxazolecarboxamide, N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
N-[2-(2-Chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-[2-(2-Chlorophényl)-2-(1-pyrrolidinyl)éthyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[2-(2-Chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-[2-(2-Chlorphenyl)-2-(1-pyrrolidinyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
942855-74-5 [RN]
N-[2-(2-chlorophenyl)-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: 1.3±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 24.01
ACD/KOC (pH 7.4): 211.13
Polar Surface Area: 77 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

Click to predict properties on the Chemicalize site


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