ChemSpider 2D Image | TCMDC-134674 | C38H52N4O6S

TCMDC-134674

  • Molecular FormulaC38H52N4O6S
  • Average mass692.908 Da
  • Monoisotopic mass692.360779 Da
  • ChemSpider ID24574725

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2R)-2-hydroxy-3-[[1-(3-methoxyphenyl)-1-methylethyl]amino]-1-(phenylmethyl)propyl]-N1,N1-dipropyl-5-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)- [ACD/Index Name]
5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-N,N-dipropylisophthalamide [ACD/IUPAC Name]
5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylisophthalamide
5-(1,1-Dioxydo-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-méthoxyphényl)-2-propanyl]amino}-1-phényl-2-butanyl]-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
5-[1,1-Bis(Oxidanylidene)-1,2-Thiazinan-2-Yl]-N3-[(2s,3r)-4-[2-(3-Methoxyphenyl)propan-2-Ylamino]-3-Oxidanyl-1-Phenyl-Butan-2-Yl]-N1,N1-Dipropyl-Benzene-1,3-Dicarboxamide
TCMDC-134674
P2F
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.029768184 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 194.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 14.70
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 156.94
ACD/KOC (pH 7.4): 672.88
Polar Surface Area: 137 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 582.3±3.0 cm3

Click to predict properties on the Chemicalize site


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