ChemSpider 2D Image | N-{[6-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-pyridinyl]methyl}-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide | C27H28F3N5O

N-{[6-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-pyridinyl]methyl}-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID33437274

More details:

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

3-Piperidinecarboxamide, N-[[6-(3,4-dihydro-2(1H)-isoquinolinyl)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
N-{[6-(3,4-Dihydro-2(1H)-isochinolinyl)-3-pyridinyl]methyl}-1-[3-(trifluormethyl)-2-pyridinyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{[6-(3,4-Dihydro-2(1H)-isoquinoléinyl)-3-pyridinyl]méthyl}-1-[3-(trifluorométhyl)-2-pyridinyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-{[6-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-pyridinyl]methyl}-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide [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: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 106.75
ACD/KOC (pH 5.5): 453.78
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1503.28
ACD/KOC (pH 7.4): 6390.13
Polar Surface Area: 61 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

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