1029773-26-9
Product Name:
[1-(3,4-Dichloro-benzyl)-piperidin-4-yl]-thioacetic acid S-benzothiazol-2-yl ester
Formula:
C21H20Cl2N2OS2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 451.4 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.0394110 g/mol |
| Monoisotopic Mass | 450.0394110 g/mol |
| Topological Polar Surface Area | 86.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 533 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |