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

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

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID9672458

More details:

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

1-Piperazinecarboxamide, 4-[[2-(1H-indol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methyl- [ACD/Index Name]
4-{[2-(1H-Indol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{[2-(1H-Indol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-N-(2-methoxyethyl)-N-methyl-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{[2-(1H-Indol-4-yl)-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-6-yl]méthyl}-N-(2-méthoxyéthyl)-N-méthyl-1-pipérazinecarboxamide [French] [ACD/IUPAC 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: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 32.49
ACD/KOC (pH 5.5): 343.82
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.13
ACD/KOC (pH 7.4): 689.25
Polar Surface Area: 118 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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