861206-53-3
Product Name:
METHYL 3-(4-[4-(BENZYLOXY)PHENYL]-1H-1,2,3-TRIAZOL-1-YL)-2-THIOPHENECARBOXYLATE
Formula:
C21H17N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 391.09906259 g/mol |
| Monoisotopic Mass | 391.09906259 g/mol |
| Topological Polar Surface Area | 94.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 509 |
| 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 |