791091-37-7
Product Name:
1,3(2H,4H)-Isoquinolinedione, 2-(4-methylphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]-
Formula:
C19H15N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.12257474 g/mol |
| Monoisotopic Mass | 345.12257474 g/mol |
| Topological Polar Surface Area | 94.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 597 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |