ChemSpider 2D Image | 1-{3-[2-(1-Piperidinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone | C24H30N8O

1-{3-[2-(1-Piperidinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone

  • Molecular FormulaC24H30N8O
  • Average mass446.548 Da
  • Monoisotopic mass446.254272 Da
  • ChemSpider ID24983030

More details:

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

1-{3-[2-(1-Piperidinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-{3-[2-(1-Piperidinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-{3-[2-(1-Pipéridinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-pipéridinyl}-3-(1H-1,2,4-triazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[2-(1-piperidinyl)-5-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-3-(1H-1,2,4-triazol-1-yl)- [ACD/Index 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: 732.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±35.7 °C
Index of Refraction: 1.708
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 32.88
ACD/KOC (pH 5.5): 409.22
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.22
ACD/KOC (pH 7.4): 463.16
Polar Surface Area: 93 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 329.2±7.0 cm3

Click to predict properties on the Chemicalize site


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