400088-17-7
Product Name:
2-{[(4-fluoro-1,3-benzothiazol-2-yl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
Formula:
C14H9F4N3OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 375.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 375.01231691 g/mol |
| Monoisotopic Mass | 375.01231691 g/mol |
| Topological Polar Surface Area | 99.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 581 |
| 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 |