ChemSpider 2D Image | Methyl (4aS)-7-chloro-2-({[(~2~H_3_)methyloxy]carbonyl}[4-(trifluoromethoxy)phenyl]carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate | C22H14D3ClF3N3O7

Methyl (4aS)-7-chloro-2-({[(2H3)methyloxy]carbonyl}[4-(trifluoromethoxy)phenyl]carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate

  • Molecular FormulaC22H14D3ClF3N3O7
  • Average mass530.853 Da
  • Monoisotopic mass530.089539 Da
  • ChemSpider ID114810843

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aS)-7-Chloro-2-({[(2H3)méthyloxy]carbonyl}[4-(trifluorométhoxy)phényl]carbamoyl)-2,5-dihydroindéno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[[(methyl-d3-oxy)carbonyl][4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)- [ACD/Index Name]
Methyl (4aS)-7-chloro-2-({[(2H3)methyloxy]carbonyl}[4-(trifluoromethoxy)phenyl]carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate [ACD/IUPAC Name]
Methyl-(4aS)-7-chlor-2-({[(2H3)methyloxy]carbonyl}[4-(trifluormethoxy)phenyl]carbamoyl)-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazin-4a(3H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 378.74
ACD/KOC (pH 5.5): 2438.84
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 378.74
ACD/KOC (pH 7.4): 2438.84
Polar Surface Area: 107 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

Click to predict properties on the Chemicalize site


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