477303-80-3
Product Name:
ethyl 2-((5-(((1S,3s)-adamantane-1-carboxamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)propanoate
Formula:
C27H36N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 496.7 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 496.25081220 g/mol |
| Monoisotopic Mass | 496.25081220 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 717 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |