957016-19-2
Product Name:
4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione
Formula:
C24H23N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 417.16885622 g/mol |
| Monoisotopic Mass | 417.16885622 g/mol |
| Topological Polar Surface Area | 81.5 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 690 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |