ChemSpider 2D Image | 5-[2-(Diethylamino)ethyl]-2-[(E)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-methyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | C23H27FN4O2

5-[2-(Diethylamino)ethyl]-2-[(E)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-methyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

  • Molecular FormulaC23H27FN4O2
  • Average mass410.484 Da
  • Monoisotopic mass410.211792 Da
  • ChemSpider ID59718533

  • Double-bond stereo - Double-bond stereo

More details:

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

4H-Pyrrolo[3,2-c]pyridin-4-one, 5-[2-(diethylamino)ethyl]-2-[(E)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydro-3-methyl- [ACD/Index Name]
5-[2-(Diethylamino)ethyl]-2-[(E)-(5-fluor-2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-3-methyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-on [German] [ACD/IUPAC Name]
5-[2-(Diethylamino)ethyl]-2-[(E)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-methyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [ACD/IUPAC Name]
5-[2-(Diéthylamino)éthyl]-2-[(E)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-3-méthyl-1,5,6,7-tétrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [French] [ACD/IUPAC Name]
FAMITINIB
SHR 1020
SHR1020
SHR-1020

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 68 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement