| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H17F4N3O3.CH4O3S |
| Molecular Weight | 495.445 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.NCC1=CC(=NC(OC2=CC=CC(=C2)C(=O)N3C[C@@H](O)[C@H](F)C3)=C1)C(F)(F)F
InChI
InChIKey=FNUHFAFCXUWHCH-DTPOWOMPSA-N
InChI=1S/C18H17F4N3O3.CH4O3S/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22;1-5(2,3)4/h1-6,13-14,26H,7-9,23H2;1H3,(H,2,3,4)/t13-,14-;/m1./s1
| Molecular Formula | C18H17F4N3O3 |
| Molecular Weight | 399.3395 |
| 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 | CH4O3S |
| Molecular Weight | 96.106 |
| 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 |
