1021707-74-3
Product Name:
O=C(NCC1=CC=C(C(N)=N)C=C1)[C@@H](NC([C@@H](CCCC2=CC=CC=C2)NS(CC3=CC=CC(C(OC)=O)=C3)(=O)=O)=O)CC4=CC(CNC(C(F)(F)F)=O)=CC=C4
Formula:
C40H43F3N6O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 808.9 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 20 |
| Exact Mass | 808.28660339 g/mol |
| Monoisotopic Mass | 808.28660339 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1450 |
| 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 |