ChemSpider 2D Image | 3-[3-Ethyl-4-(1-piperidinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone | C23H30N8O2

3-[3-Ethyl-4-(1-piperidinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC23H30N8O2
  • Average mass450.537 Da
  • Monoisotopic mass450.249176 Da
  • ChemSpider ID29185959

More details:

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

1-Propanone, 3-[3-ethyl-4-(1-piperidinyl)isoxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
3-[3-Ethyl-4-(1-piperidinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[3-Ethyl-4-(1-piperidinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-[3-Éthyl-4-(1-pipéridinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1-[4-(2-pyrimidinyl)-1-pipérazinyl]-1-propanone [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: 652.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 19.89
ACD/KOC (pH 5.5): 273.35
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.20
ACD/KOC (pH 7.4): 360.09
Polar Surface Area: 104 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

Click to predict properties on the Chemicalize site


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