340817-98-3
Product Name:
propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Formula:
C22H23N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 409.14601278 g/mol |
| Monoisotopic Mass | 409.14601278 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 632 |
| 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 |