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 | C38H42N4O4S2 |
| Molecular Weight | 682.90 g/mol |
| Exact Mass | 682.2648 Da |
| InChI |
InChI=1S/C38H42N4O4S2/c1-35(2,3)47(45)39-37(29-21-13-15-23-31(29)41(33(37)43)25-27-17-9-7-10-18-27)38(40-48(46)36(4,5)6)30-22-14-16-24-32(30)42(34(38)44)26-28-19-11-8-12-20-28/h7-24,39-40H,25-26H2,1-6H3/t37-,38+,47-,48-/m1/s1
|
| InChIKey |
AYGCFNDDBUBYSO-JGRZWYJTSA-N
|
| SMILES |
CC(C)(C)[S@@](=O)N[C@@]1(C2=C(C=CC=C2)N(CC3=CC=CC=C3)C1=O)[C@@]4(C5=C(C=CC=C5)N(CC6=CC=CC=C6)C4=O)N[S@](=O)C(C)(C)C
|
| Number of Atoms | 90 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 9 |
| XLogP | 1.8 |
