876886-23-6
Product Name:
8-(1,3-benzodioxol-5-yl)-3-benzyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Formula:
C22H19N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 405.5 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 405.11471265 g/mol |
| Monoisotopic Mass | 405.11471265 g/mol |
| Topological Polar Surface Area | 91.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 726 |
| 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 |