ChemSpider 2D Image | Befetupitant | C29H29F6N3O2

Befetupitant

  • Molecular FormulaC29H29F6N3O2
  • Average mass565.550 Da
  • Monoisotopic mass565.216370 Da
  • ChemSpider ID4953365

More details:

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

2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)-N-methylisobutyramide
2-[3,5-Bis(trifluormethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinyl]propanamid [German] [ACD/IUPAC Name]
2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinyl]propanamide [ACD/IUPAC Name]
2-[3,5-Bis(trifluorométhyl)phényl]-N,2-diméthyl-N-[4-(2-méthylphényl)-6-(4-morpholinyl)-3-pyridinyl]propanamide [French] [ACD/IUPAC Name]
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl]propanamide
290296-68-3 [RN]
Befetupitant [INN] [USAN] [Wiki]
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
RSH7NDI7MI
T6N DOTJ A- BT6NJ DR B1& EN1&VX1&1&R CXFFF EXFFF [WLN]
More...

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

8392 [DBID]
Ro 67-5930 [DBID]
D03221 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 19262.95
ACD/KOC (pH 5.5): 37678.30
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24970.60
ACD/KOC (pH 7.4): 48842.45
Polar Surface Area: 46 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 440.7±3.0 cm3

Click to predict properties on the Chemicalize site


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