169940-46-9
Product Name:
O=C(NC1=O)C(C2=CN(C3=C2C=CC=C3)CCO4)=C1C(C5=C6C=CC=C5)=CN6CC[C@H]4COS(C)(=O)=O
Formula:
C27H25N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.6 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 519.14640670 g/mol |
| Monoisotopic Mass | 519.14640670 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1050 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |