ChemSpider 2D Image | TCMDC-134129 | C33H38N4O4

TCMDC-134129

  • Molecular FormulaC33H38N4O4
  • Average mass554.679 Da
  • Monoisotopic mass554.289307 Da
  • ChemSpider ID24574110

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Ethyl-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-4-(2-oxo-1-pyrrolidinyl)-1H-indol-6-carboxamid [German] [ACD/IUPAC Name]
1-Ethyl-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-4-(2-oxo-1-pyrrolidinyl)-1H-indole-6-carboxamide [ACD/IUPAC Name]
1-Éthyl-N-{(2S,3R)-3-hydroxy-4-[(3-méthoxybenzyl)amino]-1-phényl-2-butanyl}-4-(2-oxo-1-pyrrolidinyl)-1H-indole-6-carboxamide [French] [ACD/IUPAC Name]
1-Ethyl-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-(2-oxopyrrolidin-1-yl)-1H-indole-6-carboxamide
1H-Indole-6-carboxamide, 1-ethyl-N-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]-1-(phenylmethyl)propyl]-4-(2-oxo-1-pyrrolidinyl)- [ACD/Index Name]
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1H-indole-6-carboxamide
TCMDC-134129
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.587915535 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: 867.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.6±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 159.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 11.50
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 110.99
ACD/KOC (pH 7.4): 511.50
Polar Surface Area: 96 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 447.9±7.0 cm3

Click to predict properties on the Chemicalize site


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