ChemSpider 2D Image | N-(2-{Bis[(~2~H_5_)ethyl]amino}ethyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-2H-pyrrole-3-carboxamide | C22H17D10FN4O2

N-(2-{Bis[(2H5)ethyl]amino}ethyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-2H-pyrrole-3-carboxamide

  • Molecular FormulaC22H17D10FN4O2
  • Average mass408.535 Da
  • Monoisotopic mass408.274567 Da
  • ChemSpider ID113391840
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

2H-Pyrrole-3-carboxamide, N-[2-(diethyl-d5-amino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- [ACD/Index Name]
N-(2-{Bis[(2H5)ethyl]amino}ethyl)-5-[(Z)-(5-fluor-2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-2,4-dimethyl-2H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
N-(2-{Bis[(2H5)ethyl]amino}ethyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-2H-pyrrole-3-carboxamide [ACD/IUPAC Name]
N-(2-{Bis[(2H5)éthyl]amino}éthyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-2,4-diméthyl-2H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.37
Polar Surface Area: 74 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 319.9±7.0 cm3

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