Unexpected chiral vicinal tetrasubstituted diamines via borylcopper-mediated homocoupling of isatin imines
Marco Manenti, Leonardo Lo Presti, Giorgio Molteni and Alessandra Silvani
Beilstein J. Org. Chem. 2022, 18, 303–308.
https://doi.org/10.3762/bjoc.18.34
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C28H38N4O6S2 |
| Molecular Weight | 590.76 g/mol |
| Exact Mass | 590.2233 Da |
| InChI |
InChI=1S/C28H38N4O6S2/c1-25(2,3)39(35)29-27(19-13-11-17(37-9)15-21(19)31(7)23(27)33)28(30-40(36)26(4,5)6)20-14-12-18(38-10)16-22(20)32(8)24(28)34/h11-16,29-30H,1-10H3/t27-,28+,39-,40-/m1/s1
|
| InChIKey |
DQPXLOVXAFREIN-ILDXIAIJSA-N
|
| SMILES |
CC(C)(C)[S@@](=O)N[C@@]1(C2=CC=C(C=C2N(C)C1=O)OC)[C@@]3(C4=CC=C(C=C4N(C)C3=O)OC)N[S@](=O)C(C)(C)C
|
| Number of Atoms | 78 |
| Number of H-Bond Acceptors | 10 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 10 |
| XLogP | -0.4 |
