ChemSpider 2D Image | TCMDC-135255 | C19H15N5OS

TCMDC-135255

  • Molecular FormulaC19H15N5OS
  • Average mass361.420 Da
  • Monoisotopic mass361.099731 Da
  • ChemSpider ID24575311

More details:






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

1-[3-(4-Aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[3-(4-Aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea [ACD/IUPAC Name]
1-[3-(4-Aminothiéno[3,2-d]pyrimidin-6-yl)phényl]-3-phénylurée [French] [ACD/IUPAC Name]
TCMDC-135255
urea, N-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-N'-phenyl- [ACD/Index Name]
  • Miscellaneous
    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.705250529 GlaxoSmithKline Malaria Set

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

Density: 1.5±0.1 g/cm3
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.805
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 195.95
ACD/KOC (pH 5.5): 1332.70
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.12
ACD/KOC (pH 7.4): 2109.20
Polar Surface Area: 121 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 247.5±3.0 cm3

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