353507-41-2
Product Name:
4-{[4-nitro-7-(4-morpholinyl)-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Formula:
C21H21N7O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 451.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 451.16041680 g/mol |
| Monoisotopic Mass | 451.16041680 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 792 |
| 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 |