ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-7-ethyl-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C21H19F6N5O

N-[3,5-Bis(trifluoromethyl)phenyl]-7-ethyl-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC21H19F6N5O
  • Average mass471.399 Da
  • Monoisotopic mass471.149384 Da
  • ChemSpider ID125915933

More details:

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

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, N-[3,5-bis(trifluoromethyl)phenyl]-7-ethyl-4-(1-pyrrolidinyl)- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-7-ethyl-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-7-ethyl-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-7-éthyl-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 464.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 830.91
ACD/KOC (pH 5.5): 3689.53
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1388.52
ACD/KOC (pH 7.4): 6165.55
Polar Surface Area: 63 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 316.5±7.0 cm3

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