ChemSpider 2D Image | 2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidine | C23H27N7O3S2

2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidine

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID28479398

More details:

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

2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-(1H-Indazol-4-yl)-6-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-4-(4-morpholinyl)thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.80
ACD/KOC (pH 5.5): 183.96
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.34
ACD/KOC (pH 7.4): 210.14
Polar Surface Area: 144 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 333.8±5.0 cm3

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