ChemSpider 2D Image | N-{4-[4-Amino-7-(3-{[2-(dimethylamino)ethyl]amino}-3-oxo-1-propen-1-yl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1H-indole-2-carboxamide | C31H32N6O3S

N-{4-[4-Amino-7-(3-{[2-(dimethylamino)ethyl]amino}-3-oxo-1-propen-1-yl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1H-indole-2-carboxamide

  • Molecular FormulaC31H32N6O3S
  • Average mass568.689 Da
  • Monoisotopic mass568.225647 Da
  • ChemSpider ID24808546

More details:

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

1H-Indole-2-carboxamide, N-[4-[4-amino-7-[3-[[2-(dimethylamino)ethyl]amino]-3-oxo-1-propen-1-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methyl- [ACD/Index Name]
N-{4-[4-Amino-7-(3-{[2-(dimethylamino)ethyl]amino}-3-oxo-1-propen-1-yl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-{4-[4-Amino-7-(3-{[2-(dimethylamino)ethyl]amino}-3-oxo-1-propen-1-yl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl}-1-methyl-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-{4-[4-Amino-7-(3-{[2-(diméthylamino)éthyl]amino}-3-oxo-1-propén-1-yl)thiéno[3,2-c]pyridin-3-yl]-2-méthoxyphényl}-1-méthyl-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
Kinome_2811

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

Density: 1.3±0.1 g/cm3
Boiling Point: 793.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.7±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 161.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 7.21
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 113.38
ACD/KOC (pH 7.4): 685.21
Polar Surface Area: 143 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 432.7±7.0 cm3

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