2059927-78-3
Product Name:
Isothiazolo[5,4-b]pyridine-5-carboxylic acid, 6-cyclopropyl-3-formyl-4-methyl-, ethyl ester
Formula:
C14H14N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 290.34 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 290.07251349 g/mol |
| Monoisotopic Mass | 290.07251349 g/mol |
| Topological Polar Surface Area | 97.4 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 402 |
| 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 |