477852-98-5
Product Name:
5-(4-ALLYL-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-2(1H)-PYRIDINONE
Formula:
C18H15F3N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 392.09186677 g/mol |
| Monoisotopic Mass | 392.09186677 g/mol |
| Topological Polar Surface Area | 80 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 729 |
| 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 |