957000-73-6
Product Name:
(3aR,8aR,9aR)-5,8a-dimethyl-3-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Formula:
C27H38N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 422.6 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 422.293328459 g/mol |
| Monoisotopic Mass | 422.293328459 g/mol |
| Topological Polar Surface Area | 32.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 733 |
| 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 |