828291-81-2
Product Name:
5-[3-(2-BROMO-PHENOXYMETHYL)-PHENYL]-4-ETHYL-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C17H16BrN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 389.01975 g/mol |
| Monoisotopic Mass | 389.01975 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 459 |
| 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 |