939894-16-3
Product Name:
4H,5H-[1]Benzothiopyrano[4,3-b]pyran-3-carboxylic acid, 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-, methyl ester
Formula:
C20H13ClFNO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 417.0237849 g/mol |
| Monoisotopic Mass | 417.0237849 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 755 |
| 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 |