878946-17-9
Product Name:
Pentonic acid, 2-S-[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-3,5-dideoxy-2-thio-, γ-lactone
Formula:
C20H25N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 387.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.16166284 g/mol |
| Monoisotopic Mass | 387.16166284 g/mol |
| Topological Polar Surface Area | 91.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 517 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |