71780-68-2
Product Name:
Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6 -methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E) -2-butenedioate (1:1), hydrate
Formula:
C22H25NOS.C4H4O4.H2O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 467.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 467.17664420 g/mol |
| Monoisotopic Mass | 467.17664420 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 621 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |