904511-65-5
Product Name:
(7Z)-7-(pyridin-3-ylmethylidene)-3-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Formula:
C18H13F3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 406.07113133 g/mol |
| Monoisotopic Mass | 406.07113133 g/mol |
| Topological Polar Surface Area | 83.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |