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Tienoxolol

Tienoxolol structure

CAS No:
90055-97-3
Formula:
C21H28N2O5S
Chemical Name:
Tienoxolol
Synonyms:
Benzoic acid,2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-[(2-thienylcarbonyl)amino]-,ethyl ester;Tienoxolol
Categories:
Organic Chemistry > Amides

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Tienoxolol Basic Attributes

Molecular Weight：

420.524

Exact Mass：

420.52

Characteristics

PSA：

125

XLogP3：

3.76880

Density：

1.229g/cm3

Melting Point：

127-128 °C

Boiling Point：

524.4ºC at 760mmHg

Flash Point：

270.9ºC

Refractive Index：

1.588

Drug Information

MeSH Entry Terms：

ethyl 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-((2-thienylcarbonyl)amino)benzoate

Computed Properties

Molecular Weight:420.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:420.17189317
Monoisotopic Mass:420.17189317
Topological Polar Surface Area:125
Heavy Atom Count:29
Complexity:540
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes