| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H23Cl2F2N9O2.C2HF3O2 |
| Molecular Weight | 740.467 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C3=C(C=CC(Cl)=C3)N4C=C(Cl)N=N4)C5=NC=CC(=C5)C6=C(NC1=O)C=NN6C(F)F
InChI
InChIKey=BNDDKCJHMXEGIX-WUTOIGTNSA-N
InChI=1S/C28H23Cl2F2N9O2.C2HF3O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40;3-2(4,5)1(6)7/h5-15,23,28H,2-4H2,1H3,(H,36,43);(H,6,7)/t15-,23+;/m1./s1
| Molecular Formula | C28H23Cl2F2N9O2 |
| Molecular Weight | 626.444 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| 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 |
