ChemSpider 2D Image | N-Ethyl-5-{5-methyl-4-[(2,2,2-trifluoroethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide | C18H21F3N6O2

N-Ethyl-5-{5-methyl-4-[(2,2,2-trifluoroethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide

  • Molecular FormulaC18H21F3N6O2
  • Average mass410.393 Da
  • Monoisotopic mass410.167816 Da
  • ChemSpider ID30368085

More details:

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

2(1H)-Isoquinolinecarboxamide, N-ethyl-3,4-dihydro-5-[5-methyl-4-[[(2,2,2-trifluoroethyl)amino]carbonyl]-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]
N-Ethyl-5-{5-methyl-4-[(2,2,2-trifluorethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}-3,4-dihydro-2(1H)-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-Éthyl-5-{5-méthyl-4-[(2,2,2-trifluoroéthyl)carbamoyl]-1H-1,2,3-triazol-1-yl}-3,4-dihydro-2(1H)-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-Ethyl-5-{5-methyl-4-[(2,2,2-trifluoroethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}-3,4-dihydro-2(1H)-isoquinolinecarboxamide [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.41
ACD/KOC (pH 5.5): 257.84
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 257.77
Polar Surface Area: 92 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 284.0±7.0 cm3

Click to predict properties on the Chemicalize site


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