956975-86-3
Product Name:
(3aR,8aR,9aR)-3-[(3-imidazol-1-ylpropylamino)methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Formula:
C21H31N3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 357.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 357.24162724 g/mol |
| Monoisotopic Mass | 357.24162724 g/mol |
| Topological Polar Surface Area | 56.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 551 |
| 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 |