900291-36-3
Product Name:
2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide
Formula:
C20H25N7OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 411.18412962 g/mol |
| Monoisotopic Mass | 411.18412962 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 559 |
| 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 |