452920-36-4
Product Name:
(7S)-1,2,3-trimethoxy-7-(methylamino)-10-(1-phenylethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Formula:
C28H32N2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 460.6 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 460.23620751 g/mol |
| Monoisotopic Mass | 460.23620751 g/mol |
| Topological Polar Surface Area | 68.8 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 813 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |