313244-69-8
Product Name:
phenethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Formula:
C27H28BrNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 494.4 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 493.12526 g/mol |
| Monoisotopic Mass | 493.12526 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 798 |
| 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 |