1021707-72-1
Product Name:
O=C(C(F)(F)F)NCC1=CC=CC(C[C@@H](C(NCC2=CC=C(/C(N)=N/OC(C)=O)C=C2)=O)NC([C@@H](CCCC3=CC=CC=C3)NS(CC4=CC=CC(C(OC)=O)=C4)(=O)=O)=O)=C1
Formula:
C42H45F3N6O9S
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COMPUTED DESCRIPTORS
| Molecular Weight | 866.9 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 22 |
| Exact Mass | 866.29208269 g/mol |
| Monoisotopic Mass | 866.29208269 g/mol |
| Topological Polar Surface Area | 233 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |