ChemSpider 2D Image | 1-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-4-piperidinecarboxamide | C28H35N7O3S

1-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-4-piperidinecarboxamide

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID9838713

More details:

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

1-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-6-yl]méthyl}-N-(2-méthoxyéthyl)-N-méthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[2-(1H-indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 31.25
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 30.14
ACD/KOC (pH 7.4): 381.46
Polar Surface Area: 128 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 414.5±3.0 cm3

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