861139-52-8
Product Name:
3-(4-bromo-3-methylphenyl)-12-chloro-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Formula:
C22H19BrClNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 460.7 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 459.02368 g/mol |
| Monoisotopic Mass | 459.02368 g/mol |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 670 |
| 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 |