799772-86-4
Product Name:
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
Formula:
C23H22N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.13511374 g/mol |
| Monoisotopic Mass | 406.13511374 g/mol |
| Topological Polar Surface Area | 90.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 650 |
| 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 |