861111-56-0
Product Name:
3-(4-tert-butylphenyl)-6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Formula:
C20H18Cl2N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.4 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.0629232 g/mol |
| Monoisotopic Mass | 416.0629232 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 559 |
| 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 |