860611-40-1
Product Name:
tert-Butyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
Formula:
C14H17N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.37 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 323.09397721 g/mol |
| Monoisotopic Mass | 323.09397721 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 440 |
| 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 |