904209-35-4
Product Name:
(1Z)-5-(4-chloro-3-methylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)pentan-2-one
Formula:
C24H26ClNO4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 427.9 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 427.1550360 g/mol |
| Monoisotopic Mass | 427.1550360 g/mol |
| Topological Polar Surface Area | 56.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 612 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |