ChemSpider 2D Image | CNX-1351 | C30H35N7O3S

CNX-1351

  • Molecular FormulaC30H35N7O3S
  • Average mass573.709 Da
  • Monoisotopic mass573.252197 Da
  • ChemSpider ID29394821

More details:






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

1-(4-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-6-methyl-5-hepten-1,4-dion [German] [ACD/IUPAC Name]
1-(4-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-6-methyl-5-heptene-1,4-dione [ACD/IUPAC Name]
1-(4-{[2-(1H-Indazol-4-yl)-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-6-yl]méthyl}-1-pipérazinyl)-6-méthyl-5-heptène-1,4-dione [French] [ACD/IUPAC Name]
1-[4-[[2-(1h-Indazol-4-Yl)-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidin-6-Yl]methyl]piperazin-1-Yl]-6-Methyl-Hept-5-Ene-1,4-Dione
1276105-89-5 [RN]
5-Heptene-1,4-dione, 1-[4-[[2-(1H-indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-6-methyl- [ACD/Index Name]
CNX-1351
1-(4-((2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
1-[4-[[2-(1H-indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-6-methyl-5-heptene-1,4-dione
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methylhept-5-ene-1,4-dione
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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: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 63.93
ACD/KOC (pH 5.5): 647.13
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 76.92
ACD/KOC (pH 7.4): 778.58
Polar Surface Area: 136 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 432.0±3.0 cm3

Click to predict properties on the Chemicalize site






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