902589-96-2
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
Inquiry
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 |