498537-71-6
Product Name:
4-[(2-BROMOPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
Formula:
C14H10BrN5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 360.23 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 358.98403 g/mol |
| Monoisotopic Mass | 358.98403 g/mol |
| Topological Polar Surface Area | 85 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 447 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |