ChemSpider 2D Image | TCMDC-137046 | C20H28ClN5

TCMDC-137046

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID24577044

More details:






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

2,4-pyrimidinediamine, N4-(4-chlorophenyl)-N2-ethyl-N2-[3-(1-piperidinyl)propyl]- [ACD/Index Name]
N4-(4-Chlorophenyl)-N2-ethyl-N2-[3-(1-piperidinyl)propyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(4-Chlorophényl)-N2-éthyl-N2-[3-(1-pipéridinyl)propyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(4-Chlorophenyl)-N2-ethyl-N2-[3-(piperidin-1-yl)propyl]pyrimidine-2,4-diamine
N4-(4-Chlorphenyl)-N2-ethyl-N2-[3-(1-piperidinyl)propyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
TCMDC-137046
  • Miscellaneous
    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.191430333 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.8±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 58.94
ACD/KOC (pH 7.4): 176.07
Polar Surface Area: 44 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

Click to predict properties on the Chemicalize site






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