1437468-62-6
Product Name:
Des-(1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one) Itraconazole
Formula:
C29H30Cl2N6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 581.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 580.1756442 g/mol |
| Monoisotopic Mass | 580.1756442 g/mol |
| Topological Polar Surface Area | 90.9 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 794 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |