ChemSpider 2D Image | N-[4-(Diethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-5-(2-thienyl)-1,2-oxazole-3-carboxamide | C23H27N3O4S2

N-[4-(Diethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-5-(2-thienyl)-1,2-oxazole-3-carboxamide

  • Molecular FormulaC23H27N3O4S2
  • Average mass473.608 Da
  • Monoisotopic mass473.144287 Da
  • ChemSpider ID21608825

More details:

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

3-Isoxazolecarboxamide, N-[[4-(diethylamino)phenyl]methyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-5-(2-thienyl)- [ACD/Index Name]
N-[4-(Diethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-5-(2-thienyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Diethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-5-(2-thienyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-[4-(Diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-thienyl)-1,2-oxazole-3-carboxamide
N-[4-(Diéthylamino)benzyl]-N-(1,1-dioxydotétrahydro-3-thiophényl)-5-(2-thiényl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
901664-11-7 [RN]
N-[[4-(diethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-5-(2-thienyl)isoxazole-3-carboxamide
N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 70.54
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 35.73
ACD/KOC (pH 7.4): 441.12
Polar Surface Area: 120 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 347.6±5.0 cm3

Click to predict properties on the Chemicalize site


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