ChemSpider 2D Image | N-[(2s,5r)-5-Carbamoyladamantan-2-yl]-4-{5-[4-(2-methyl-2-propanyl)-1-piperazinyl]-2-pyridinyl}-3,4-dihydro-1(2H)-quinoxalinecarboxamide | C33H45N7O2

N-[(2s,5r)-5-Carbamoyladamantan-2-yl]-4-{5-[4-(2-methyl-2-propanyl)-1-piperazinyl]-2-pyridinyl}-3,4-dihydro-1(2H)-quinoxalinecarboxamide

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID30813199

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

1(2H)-Quinoxalinecarboxamide, N-[5-(aminocarbonyl)tricyclo[3.3.1.13,7]dec-2-yl]-4-[5-[4-(1,1-dimethylethyl)-1-piperazinyl]-2-pyridinyl]-3,4-dihydro- [ACD/Index Name]
N-[(2s,5r)-5-Carbamoyladamantan-2-yl]-4-{5-[4-(2-methyl-2-propanyl)-1-piperazinyl]-2-pyridinyl}-3,4-dihydro-1(2H)-chinoxalincarboxamid [German] [ACD/IUPAC Name]
N-[(2s,5r)-5-Carbamoyladamantan-2-yl]-4-{5-[4-(2-methyl-2-propanyl)-1-piperazinyl]-2-pyridinyl}-3,4-dihydro-1(2H)-quinoxalinecarboxamide [ACD/IUPAC Name]
N-[(2s,5r)-5-Carbamoyladamantan-2-yl]-4-{5-[4-(2-méthyl-2-propanyl)-1-pipérazinyl]-2-pyridinyl}-3,4-dihydro-1(2H)-quinoxalinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 448.8±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 19.31
ACD/KOC (pH 7.4): 140.93
Polar Surface Area: 98 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 438.1±5.0 cm3

Click to predict properties on the Chemicalize site


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