ChemSpider 2D Image | flumatinib | C29H29F3N8O

flumatinib

  • Molecular FormulaC29H29F3N8O
  • Average mass562.589 Da
  • Monoisotopic mass562.241638 Da
  • ChemSpider ID25069687

More details:






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

4-[(4-Methyl-1-piperazinyl)methyl]-N-(6-methyl-5-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}-3-pyridinyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-N-(6-methyl-5-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}-3-pyridinyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-N-(6-méthyl-5-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}-3-pyridinyl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
895519-90-1 [RN]
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[6-methyl-5-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-3-pyridinyl]-3-(trifluoromethyl)- [ACD/Index Name]
flumatinib
R4009Y24AI
4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide
MFCD18633213
N-(6-methyl-5-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}pyridin-3-yl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 9.21
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 53.79
ACD/KOC (pH 7.4): 469.06
Polar Surface Area: 99 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 419.8±3.0 cm3

Click to predict properties on the Chemicalize site






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