1126432-68-5
Product Name:
Quetiapine Impurity (N,N-bis[(2-phenylthio)phenyl]-1,4-piperazinedicarboxamide)
Formula:
C30H28N4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 540.7 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 540.16536850 g/mol |
| Monoisotopic Mass | 540.16536850 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 689 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |