ChemSpider 2D Image | TAK-441 | C28H31F3N4O6

TAK-441

  • Molecular FormulaC28H31F3N4O6
  • Average mass576.564 Da
  • Monoisotopic mass576.219543 Da
  • ChemSpider ID28650162

More details:

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

1H-Pyrrolo[3,2-c]pyridine-2-carboxamide, 6-ethyl-4,5-dihydro-N-[1-(2-hydroxyacetyl)-4-piperidinyl]-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
6-Ethyl-N-(1-glycoloyl-4-piperidinyl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluorethoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-2-carboxamid [German] [ACD/IUPAC Name]
6-Ethyl-N-(1-glycoloyl-4-piperidinyl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide [ACD/IUPAC Name]
6-Éthyl-N-[1-(2-hydroxyacétyl)-4-pipéridinyl]-1-méthyl-4-oxo-5-(2-oxo-2-phényléthyl)-3-(2,2,2-trifluoroéthoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide [French] [ACD/IUPAC Name]
TAK-441
1186231-83-3 [RN]
6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.61
ACD/KOC (pH 5.5): 292.90
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.61
ACD/KOC (pH 7.4): 292.90
Polar Surface Area: 121 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 410.7±7.0 cm3

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