442554-79-2
Product Name:
4-({[(2Z)-3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Formula:
C20H16F3N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 451.4 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 451.08136166 g/mol |
| Monoisotopic Mass | 451.08136166 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 738 |
| 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 |