925548-42-1
Product Name:
1,4-Benzodioxin-2-carboxamide, 2,3-dihydro-N-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-
Formula:
C18H16N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 336.3 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 336.12224039 g/mol |
| Monoisotopic Mass | 336.12224039 g/mol |
| Topological Polar Surface Area | 89.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 469 |
| 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 |