ChemSpider 2D Image | Methyl {3-[(E)-{1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene}methyl]-1H-indol-1-yl}acetate | C32H31N3O5

Methyl {3-[(E)-{1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene}methyl]-1H-indol-1-yl}acetate

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID12510818
  • Double-bond stereo - Double-bond stereo


More details:






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

{3-[(E)-{1-[4-(Adamantan-1-yl)phényl]-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène}méthyl]-1H-indol-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-1-acetic acid, 3-[(E)-[tetrahydro-2,4,6-trioxo-1-(4-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-5(2H)-pyrimidinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl {3-[(E)-{1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene}methyl]-1H-indol-1-yl}acetate [ACD/IUPAC Name]
Methyl {3-[(E)-{1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-1-yl}acetate
Methyl-{3-[(E)-{1-[4-(adamantan-1-yl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden}methyl]-1H-indol-1-yl}acetat [German] [ACD/IUPAC Name]
(E)-methyl 2-(3-((1-(4-(adamantan-1-yl)phenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetate
{3-[1-(4-Adamantan-1-yl-phenyl)-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl]-indol-1-yl}-acetic acid methyl ester
355825-80-8 [RN]
methyl {3-[(1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indol-1-yl}acetate
methyl {3-[(E)-{2,4,6-trioxo-1-[4-(tricyclo[3.3.1.13,7]dec-1-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-1-yl}acetate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10062.68
ACD/KOC (pH 5.5): 25431.20
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 5424.61
ACD/KOC (pH 7.4): 13709.51
Polar Surface Area: 98 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 373.7±7.0 cm3

Click to predict properties on the Chemicalize site






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