956157-33-8
Product Name:
(3aR,8aR,9aR)-8a-methyl-5-methylidene-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Formula:
C25H33N3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 439.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 439.24710654 g/mol |
| Monoisotopic Mass | 439.24710654 g/mol |
| Topological Polar Surface Area | 78.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 751 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |