| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H33F2N7O2S.C4H6O4 |
| Molecular Weight | 687.757 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CCCS(=O)(=O)NC1=C(F)C(N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC)CC4)C5=CN=CN=C5)=C(F)C=C1
InChI
InChIKey=BQQHMTKDCJAZNR-UHFFFAOYSA-N
InChI=1S/C28H33F2N7O2S.C4H6O4/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20;5-3(6)1-2-4(7)8/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C28H33F2N7O2S |
| Molecular Weight | 569.669 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
