ChemSpider 2D Image | 4-Methyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-7-isoquinolinecarboxamide | C27H28F3N5O

4-Methyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-7-isoquinolinecarboxamide

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID76745259

More details:

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

4-Methyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylmethyl)-5-(trifluormethyl)phenyl]-1,2,3,4-tetrahydro-7-isochinolincarboxamid [German] [ACD/IUPAC Name]
4-Méthyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylméthyl)-5-(trifluorométhyl)phényl]-1,2,3,4-tétrahydro-7-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
4-Methyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-7-isoquinolinecarboxamide [ACD/IUPAC Name]
7-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-4-methyl-2-(5-pyrimidinyl)-N-[3-(1-pyrrolidinylmethyl)-5-(trifluoromethyl)phenyl]- [ACD/Index 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: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 7.32
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 20.58
ACD/KOC (pH 7.4): 82.67
Polar Surface Area: 61 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

Click to predict properties on the Chemicalize site


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