898917-83-4
Product Name:
7-methyl-8-(2,4,6-trimethylphenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
Formula:
C22H27NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 401.16607952 g/mol |
| Monoisotopic Mass | 401.16607952 g/mol |
| Topological Polar Surface Area | 64.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 635 |
| 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 |