ChemSpider 2D Image | TCMDC-134404 | C35H42N4O4

TCMDC-134404

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID24574403

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-5-carboxamide, 3-ethyl-N-[(1S,2R)-2-hydroxy-3-[[1-(3-methoxyphenyl)-1-methylethyl]amino]-1-(phenylmethyl)propyl]-7-(2-oxo-1-pyrrolidinyl)- [ACD/Index Name]
3-Ethyl-N-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-7-(2-oxo-1-pyrrolidinyl)-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
3-Ethyl-N-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-7-(2-oxo-1-pyrrolidinyl)-1H-indole-5-carboxamide [ACD/IUPAC Name]
3-Éthyl-N-[(2S,3R)-3-hydroxy-4-{[2-(3-méthoxyphényl)-2-propanyl]amino}-1-phényl-2-butanyl]-7-(2-oxo-1-pyrrolidinyl)-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]
3-Ethyl-N-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-7-(2-oxopyrrolidin-1-yl)-1H-indole-5-carboxamide
TCMDC-134404
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.192320865 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: 880.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.3±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 170.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 27.56
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 376.45
ACD/KOC (pH 7.4): 1308.96
Polar Surface Area: 107 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 478.4±3.0 cm3

Click to predict properties on the Chemicalize site


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