956950-46-2
Product Name:
(6S,6aR,13R,13aS)-N-(pyridin-3-yl)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1-carbothioamide
Formula:
C21H28N4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 368.5 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 368.20346808 g/mol |
| Monoisotopic Mass | 368.20346808 g/mol |
| Topological Polar Surface Area | 63.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 576 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |