ChemSpider 2D Image | burapitant | C31H35Cl2F6N3O3

burapitant

  • Molecular FormulaC31H35Cl2F6N3O3
  • Average mass682.524 Da
  • Monoisotopic mass681.195984 Da
  • ChemSpider ID26519428
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(1-{2-[(2R)-4-{[3,5-Bis(trifluormethyl)phenyl]acetyl}-2-(3,4-dichlorphenyl)-2-morpholinyl]ethyl}-4-piperidinyl)-2-methylpropanamid [German] [ACD/IUPAC Name]
2-(1-{2-[(2R)-4-{[3,5-Bis(trifluoromethyl)phenyl]acetyl}-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl}-4-piperidinyl)-2-methylpropanamide [ACD/IUPAC Name]
2-(1-{2-[(2R)-4-{2-[3,5-Bis(trifluorométhyl)phényl]acétyl}-2-(3,4-dichlorophényl)-2-morpholinyl]éthyl}-4-pipéridinyl)-2-méthylpropanamide [French] [ACD/IUPAC Name]
4-Piperidineacetamide, 1-[2-[(2R)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-α,α-dimethyl- [ACD/Index Name]
537034-22-3 [RN]
9138
burapitant [INN] [Wiki]
burapitant [French] [INN]
burapitant [Spanish] [INN]
burapitantum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 704.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 56.43
ACD/KOC (pH 5.5): 92.07
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 1481.65
ACD/KOC (pH 7.4): 2417.34
Polar Surface Area: 76 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 512.2±3.0 cm3

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