865657-67-6
Product Name:
2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID
Formula:
C16H14BrNO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.3 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 410.97761 g/mol |
| Monoisotopic Mass | 410.97761 g/mol |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 555 |
| 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 |