904007-42-7
Product Name:
2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Formula:
C19H21N5OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.11875266 g/mol |
| Monoisotopic Mass | 399.11875266 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 576 |
| 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 |