956922-79-5
Product Name:
(1S,5R)-8-oxo-N-(pyridin-3-yl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide
Formula:
C17H18N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 326.12013238 g/mol |
| Monoisotopic Mass | 326.12013238 g/mol |
| Topological Polar Surface Area | 80.6 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 573 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |