ChemSpider 2D Image | TCMDC-131350 | C30H39NO2

TCMDC-131350

  • Molecular FormulaC30H39NO2
  • Average mass445.636 Da
  • Monoisotopic mass445.298065 Da
  • ChemSpider ID24571363

More details:

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

2H-1-Benzopyran-5-ol, 2,2-dimethyl-7-(1-methylhexyl)-4-[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]- [ACD/Index Name]
4-(1-Benzyl-1,2,3,6-tetrahydro-4-pyridinyl)-7-(2-heptanyl)-2,2-dimethyl-2H-chromen-5-ol [German] [ACD/IUPAC Name]
4-(1-Benzyl-1,2,3,6-tetrahydro-4-pyridinyl)-7-(2-heptanyl)-2,2-dimethyl-2H-chromen-5-ol [ACD/IUPAC Name]
4-(1-Benzyl-1,2,3,6-tétrahydro-4-pyridinyl)-7-(2-heptanyl)-2,2-diméthyl-2H-chromén-5-ol [French] [ACD/IUPAC Name]
4-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-7-(heptan-2-yl)-2,2-dimethyl-2H-chromen-5-ol
TCMDC-131350
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.780368312 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 12261.47
ACD/KOC (pH 5.5): 6975.74
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 591211.44
ACD/KOC (pH 7.4): 336349.38
Polar Surface Area: 33 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

Click to predict properties on the Chemicalize site


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