477860-57-4
Product Name:
Ethyl 2-(2-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-(2-chloro-6-fluorophenyl)propanoate
Formula:
C23H19Cl2FN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 505.4 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 504.0589806 g/mol |
| Monoisotopic Mass | 504.0589806 g/mol |
| Topological Polar Surface Area | 94.7 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 654 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |