ChemSpider 2D Image | [5-Chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone | C19H26ClN7O

[5-Chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone

  • Molecular FormulaC19H26ClN7O
  • Average mass403.909 Da
  • Monoisotopic mass403.188751 Da
  • ChemSpider ID31874433

More details:

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

[5-Chlor-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[5-Chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[5-Chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl][3-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [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: 651.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.68
ACD/KOC (pH 5.5): 617.29
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.98
ACD/KOC (pH 7.4): 620.67
Polar Surface Area: 80 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 280.3±7.0 cm3

Click to predict properties on the Chemicalize site


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