866137-75-9
Product Name:
2-[2-(7-NITRO-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-2-YL)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE
Formula:
C18H13N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 367.3 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 367.08043514 g/mol |
| Monoisotopic Mass | 367.08043514 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 638 |
| 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 |