30818-18-9
Product Name:
2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-4-((1-phenyl-1H-tetrazol-5-yl)thio)-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)butanamide
Formula:
C40H50N8O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 722.9 g/mol |
|---|---|
| XLogP3 | 9.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 722.37265866 g/mol |
| Monoisotopic Mass | 722.37265866 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |