107047-27-8
Product Name:
1-[4-[4-(2,4-Di-tert-pentylphenoxy)-butyramido]-phenyl]3-pyrrolidino-4-(1-phenyl-tetrazol-5-yl)-thio-pyrazolin-5-one
Formula:
C40H50N8O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 722.9 g/mol |
|---|---|
| XLogP3 | 9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 15 |
| 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 | 1210 |
| 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 |