ChemSpider 2D Image | 2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide | C33H35F7N4O3

2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide

  • Molecular FormulaC33H35F7N4O3
  • Average mass668.645 Da
  • Monoisotopic mass668.259766 Da
  • ChemSpider ID17223178

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[3,5-Bis(trifluormethyl)phenyl]-N-{4-(4-fluor-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamid [German] [ACD/IUPAC Name]
2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide [ACD/IUPAC Name]
2-[3,5-Bis(trifluorométhyl)phényl]-N-{4-(4-fluoro-2-méthylphényl)-6-[(7S,9aS)-7-(hydroxyméthyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)- [ACD/Index Name]
929046-33-3 [RN]
Elinzanetant
N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 159.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 62.63
ACD/KOC (pH 5.5): 169.48
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 2616.67
ACD/KOC (pH 7.4): 7081.26
Polar Surface Area: 69 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 476.8±5.0 cm3

Click to predict properties on the Chemicalize site


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