879437-89-5
Product Name:
2-(5-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Formula:
C19H15N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 361.4 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 361.11748936 g/mol |
| Monoisotopic Mass | 361.11748936 g/mol |
| Topological Polar Surface Area | 97.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 716 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |