477299-77-7
Product Name:
(1S,3s)-N-((5-((4-fluorobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
Formula:
C28H31FN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 506.6 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 506.21517558 g/mol |
| Monoisotopic Mass | 506.21517558 g/mol |
| Topological Polar Surface Area | 94.3 Ų |
| Heavy Atom Count | 36 |
| 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 |