ChemSpider 2D Image | 1-{3-Oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one | C21H24N8O2S

1-{3-Oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID28987256

More details:






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

1-{3-Oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-on [German] [ACD/IUPAC Name]
1-{3-Oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one [ACD/IUPAC Name]
1-{3-Oxo-3-[4-(2-pyrimidinyl)-1-pipérazinyl]propyl}-4-propylthiéno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-propyl- [ACD/Index Name]
1-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1185150-92-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 784.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.0±35.7 °C
Index of Refraction: 1.771
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.18
ACD/KOC (pH 5.5): 193.14
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.84
ACD/KOC (pH 7.4): 251.16
Polar Surface Area: 129 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 298.0±7.0 cm3

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