ChemSpider 2D Image | figopitant | C27H31F6N3O

figopitant

  • Molecular FormulaC27H31F6N3O
  • Average mass527.545 Da
  • Monoisotopic mass527.237122 Da
  • ChemSpider ID8090506

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-{2-[3,5-Bis(trifluormethyl)phenyl]ethyl}-2-[4-(cyclopropylmethyl)-1-piperazinyl]-N-methyl-2-phenylacetamid [German] [ACD/IUPAC Name]
(2S)-N-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-2-[4-(cyclopropylmethyl)-1-piperazinyl]-N-methyl-2-phenylacetamide [ACD/IUPAC Name]
(2S)-N-{2-[3,5-Bis(trifluorométhyl)phényl]éthyl}-2-[4-(cyclopropylméthyl)-1-pipérazinyl]-N-méthyl-2-phénylacétamide [French] [ACD/IUPAC Name]
1-Piperazineacetamide, N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(cyclopropylmethyl)-N-methyl-α-phenyl-, (αS)- [ACD/Index Name]
23X73B9O6Q
502422-74-4 [RN]
figopitant [INN]
figopitant [French] [INN]
figopitant [Spanish] [INN]
figopitantum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7944 [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: 526.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 33.42
ACD/KOC (pH 5.5): 123.69
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1294.06
ACD/KOC (pH 7.4): 4789.93
Polar Surface Area: 27 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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