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 | C28H38N4O4S2 |
| Molecular Weight | 558.76 g/mol |
| Exact Mass | 558.2335 Da |
| InChI |
InChI=1S/C28H38N4O4S2/c1-17-11-13-21-19(15-17)27(23(33)31(21)9,29-37(35)25(3,4)5)28(30-38(36)26(6,7)8)20-16-18(2)12-14-22(20)32(10)24(28)34/h11-16,29-30H,1-10H3/t27-,28+,37-,38-/m1/s1
|
| InChIKey |
WTOODEDGNIGNAV-NKTVNEEOSA-N
|
| SMILES |
CC1=CC=C2C(=C1)[C@@](C(=O)N2C)([C@@]3(C4=CC(=CC=C4N(C)C3=O)C)N[S@](=O)C(C)(C)C)N[S@](=O)C(C)(C)C
|
| Number of Atoms | 76 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 9 |
| XLogP | 0.4 |
