Found 219 results

Search term: MF = 'C_{30}H_{38}N_{4}O_{2}S'
ChemSpider 2D Image | TCMDC-141789 | C30H38N4O2S

TCMDC-141789

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID24581449

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(5-Phenyl-2-thienyl)-3-[(3S)-1-{4-[3-(1-piperidinyl)propoxy]benzyl}-3-pyrrolidinyl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Phenyl-2-thienyl)-3-[(3S)-1-{4-[3-(1-piperidinyl)propoxy]benzyl}-3-pyrrolidinyl]urea [ACD/IUPAC Name]
1-(5-Phényl-2-thiényl)-3-[(3S)-1-{4-[3-(1-pipéridinyl)propoxy]benzyl}-3-pyrrolidinyl]urée [French] [ACD/IUPAC Name]
1-(5-Phenyl-2-thienyl)-3-[(3S)-1-{4-[3-(piperidin-1-yl)propoxy]benzyl}pyrrolidin-3-yl]urea
TCMDC-141789
Urea, N-(5-phenyl-2-thienyl)-N'-[(3S)-1-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-3-pyrrolidinyl]- [ACD/Index Name]
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.741737535 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 7.74
Polar Surface Area: 85 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


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