400089-19-2
Product Name:
3-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]urea
Formula:
C19H18BrF3N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 459.3 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 458.04529 g/mol |
| Monoisotopic Mass | 458.04529 g/mol |
| Topological Polar Surface Area | 61.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 551 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |