2131803-90-0
Product Name:
WYC-209
Formula:
C20H20N2O3S
Synonyms:
2-[2-(3,4-Dihydro-4,4-dimethyl-1-oxido-2H-1-benzothiopyran-6-yl)ethynyl-5-pyrimidinecarboxylic acid, ethyl ester
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COMPUTED DESCRIPTORS
| Molecular Weight | 368.5 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 368.11946368 g/mol |
| Monoisotopic Mass | 368.11946368 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 613 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |