477845-37-7
Product Name:
6-[3-(4-BROMOANILINO)ACRYLOYL]-2-(3,5-DIMETHYLPHENYL)-4-METHYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE
Formula:
C21H19BrN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.3 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 454.06405 g/mol |
| Monoisotopic Mass | 454.06405 g/mol |
| Topological Polar Surface Area | 82.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 705 |
| 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 |