879588-18-8
Product Name:
(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone
Formula:
C27H24N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.6 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 456.15076381 g/mol |
| Monoisotopic Mass | 456.15076381 g/mol |
| Topological Polar Surface Area | 79.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 707 |
| 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 |