ChemSpider 2D Image | TCMDC-135634 | C33H37N5O5

TCMDC-135634

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID24575672
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Pyridineacetic acid, 2-[(1E,2S)-2-[[(2S)-2-[[(7-methoxy-2-benzofuranyl)carbonyl]amino]-4-methyl-1-oxopentyl]amino]-4-phenylbutylidene]hydrazide [ACD/Index Name]
7-Methoxy-N-[(2S)-4-methyl-1-oxo-1-({(1E,2S)-4-phenyl-1-[(3-pyridinylacetyl)hydrazono]-2-butanyl}amino)-2-pentanyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
7-Methoxy-N-[(2S)-4-methyl-1-oxo-1-({(1E,2S)-4-phenyl-1-[(3-pyridinylacetyl)hydrazono]-2-butanyl}amino)-2-pentanyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
7-Methoxy-N-[(2S)-4-methyl-1-oxo-1-({(1E,2S)-4-phenyl-1-[(pyridin-3-ylacetyl)hydrazono]butan-2-yl}amino)pentan-2-yl]-1-benzofuran-2-carboxamide
7-Méthoxy-N-[(2S)-4-méthyl-1-oxo-1-{[(1E,2S)-4-phényl-1-{[2-(3-pyridinyl)acétyl]hydrazono}-2-butanyl]amino}-2-pentanyl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
TCMDC-135634
(2S)-2-[(7-methoxy-1-benzofuran-2-yl)formamido]-4-methyl-N-[(1E,2S)-4-phenyl-1-{[2-(pyridin-3-yl)acetamido]imino}butan-2-yl]pentanamide
  • Miscellaneous
    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.950564397 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 164.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 647.88
ACD/KOC (pH 5.5): 3437.68
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 746.91
ACD/KOC (pH 7.4): 3963.15
Polar Surface Area: 135 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 474.5±7.0 cm3

Click to predict properties on the Chemicalize site






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