ChemSpider 2D Image | 3-Amino-5-({2-({[(2S)-1-isobutyl-2-piperidinyl]methyl}amino)-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone | C29H32F3N7O2

3-Amino-5-({2-({[(2S)-1-isobutyl-2-piperidinyl]methyl}amino)-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID9824597

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinoxalinone, 3-amino-5-[[2-[[[(2S)-1-(2-methylpropyl)-2-piperidinyl]methyl]amino]-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]- [ACD/Index Name]
3-Amino-5-({2-({[(2S)-1-isobutyl-2-piperidinyl]methyl}amino)-6-[4-(trifluormethyl)phenyl]-4-pyrimidinyl}oxy)-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
3-Amino-5-({2-({[(2S)-1-isobutyl-2-piperidinyl]methyl}amino)-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone [ACD/IUPAC Name]
3-Amino-5-({2-({[(2S)-1-isobutyl-2-pipéridinyl]méthyl}amino)-6-[4-(trifluorométhyl)phényl]-4-pyrimidinyl}oxy)-2(1H)-quinoxalinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 7.88
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 16.41
ACD/KOC (pH 7.4): 62.92
Polar Surface Area: 118 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement