478048-39-4
Product Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-
Formula:
C17H11F3N4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 392.03772320 g/mol |
| Monoisotopic Mass | 392.03772320 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 591 |
| 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 |