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902589-96-2

902589-96-2 structural image
Product Name: Ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
Formula: C17H22N4O4S
Synonyms: 4-[2-(4,6-Dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl]-1-piperazinecarboxylic acid ethyl ester;Ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate;Ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate, TMPK Inhibitor;Thymidylate Kinase Inhibitor, YMU1 - CAS 902589-96-2 - Calbiochem
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COMPUTED DESCRIPTORS

Molecular Weight 378.4 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 378.13617637 g/mol
Monoisotopic Mass 378.13617637 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 567
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes