ChemSpider 2D Image | N-[6-(4-Amino-1-{[2-(4-methyl-1-piperazinyl)-3-quinolinyl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide | C29H28N10OS

N-[6-(4-Amino-1-{[2-(4-methyl-1-piperazinyl)-3-quinolinyl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide

  • Molecular FormulaC29H28N10OS
  • Average mass564.664 Da
  • Monoisotopic mass564.216797 Da
  • ChemSpider ID24604328

More details:






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

Acetamide, N-[6-[4-amino-1-[[2-(4-methyl-1-piperazinyl)-3-quinolinyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-benzothiazolyl]- [ACD/Index Name]
N-[6-(4-Amino-1-{[2-(4-methyl-1-piperazinyl)-3-chinolinyl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamid [German] [ACD/IUPAC Name]
N-[6-(4-Amino-1-{[2-(4-méthyl-1-pipérazinyl)-3-quinoléinyl]méthyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acétamide [French] [ACD/IUPAC Name]
N-[6-(4-Amino-1-{[2-(4-methyl-1-piperazinyl)-3-quinolinyl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide [ACD/IUPAC Name]
N-[6-(4-Amino-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
N-(6-(4-Amino-1-((2-(4-methylpiperazin-1-yl)quinolin-3-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzo[d]thiazol-2-yl)acetamide
RW3

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.815
Molar Refractivity: 158.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 16.52
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 58.72
ACD/KOC (pH 7.4): 569.19
Polar Surface Area: 159 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 366.4±7.0 cm3

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