| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H28ClF3N6O4.2H2O |
| Molecular Weight | 653.049 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.FC(F)(F)C1=CC(OC2CCN(CC2)C(=O)CNC(=O)[C@H](CC3=NC=CC=C3)NC(=O)\C=C\C4=CC=C(Cl)C=C4)=NC=N1
InChI
InChIKey=ULJYWSVDASRELY-FPINKFAQSA-N
InChI=1S/C29H28ClF3N6O4.2H2O/c30-20-7-4-19(5-8-20)6-9-25(40)38-23(15-21-3-1-2-12-34-21)28(42)35-17-27(41)39-13-10-22(11-14-39)43-26-16-24(29(31,32)33)36-18-37-26;;/h1-9,12,16,18,22-23H,10-11,13-15,17H2,(H,35,42)(H,38,40);2*1H2/b9-6+;;/t23-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C29H28ClF3N6O4 |
| Molecular Weight | 617.019 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
