 Home > Encyclopedia > 2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate

2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate

2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate structure

CAS No:
99447-45-7
Formula:
C30H32N3O4S+
Chemical Name:
2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate
Synonyms:
3,3-dimethyl-1-phenyl-1-phthalylacetic acid oxythiamine ester;DPPAAOE;oxythiamine 3,3-dimethyl-1-phenyl-1-phthalylacetate;Dppaaoe;99447-45-7;3,3-Dimethyl-1-phenyl-1-phthalylacetic acid oxythiamine ester;Oxythiamine 3,3-dimethyl-1-phenyl-1-phthalylacetate;DTXSID70912707;5-(2-{[(3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetyl]oxy}ethyl)-3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium;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-

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2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate Basic Attributes

Molecular Weight：

530.7 g/mol

Exact Mass：

530.21135268 g/mol

Characteristics

PSA：

109 Å²

Drug Information

MeSH Entry Terms：

3,3-dimethyl-1-phenyl-1-phthalylacetic acid oxythiamine ester

Computed Properties

Molecular Weight:530.7
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:530.21135268
Monoisotopic Mass:530.21135268
Topological Polar Surface Area:109
Heavy Atom Count:38
Formal Charge:1
Complexity:959
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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