ChemSpider 2D Image | 5-{2-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetoxy]ethyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium | C30H32N3O4S

5-{2-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetoxy]ethyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium

  • Molecular FormulaC30H32N3O4S
  • Average mass530.657 Da
  • Monoisotopic mass530.210815 Da
  • ChemSpider ID112995

  • Charge - Charge

More details:

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

5-{2-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetoxy]ethyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium [ACD/IUPAC Name]
5-{2-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetoxy]ethyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium [German] [ACD/IUPAC Name]
5-{2-[2-(3,3-Diméthyl-1-phényl-1,3-dihydro-2-benzofuran-1-yl)acétoxy]éthyl}-4-méthyl-3-[(2-méthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)méthyl]-1,3-thiazol-3-ium [French] [ACD/IUPAC Name]
Thiazolium, 5-[2-[[2-(1,3-dihydro-3,3-dimethyl-1-phenyl-1-isobenzofuranyl)acetyl]oxy]ethyl]-3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-4-methyl- [ACD/Index Name]
3,3-Dimethyl-1-phenyl-1-phthalylacetic acid oxythiamine ester
99447-45-7 [RN]
Dppaaoe
Oxythiamine 3,3-dimethyl-1-phenyl-1-phthalylacetate
Thiazolium, 5-(2-(((1,3-dihydro-3,3-dimethyl-1-phenyl-1-isobezofuranyl)acetyl)oxy)ethyl)-3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-4-methyl-

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 109 Å2
Polarizability:
Surface Tension:
Molar Volume:

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