736995-64-5
Product Name:
4H-3,1-Benzoxazine-6-carbonitrile, 2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-
Formula:
C18H9BrClN5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 442.7 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 440.96281 g/mol |
| Monoisotopic Mass | 440.96281 g/mol |
| Topological Polar Surface Area | 93.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 682 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |