Formula | C27H31F6N3O2 |
MW | 543.56 |
bulk_in | / |
comment | nan |
inchikey | CUZOFHLUPDTZHG-UHFFFAOYSA-N |
literature | UNKNOWN |
location | FKKT-HLAD_1 |
mass | 280,0 |
nmr_code | NO_NMR_DATA |
rack_code | NU00246861 |
rack_number | 1 |
rack_position | 1A6 |
reasearcher | A._IVANCIC |
research_group | SVETE |
sample_state | TRUE_SAMPLE |
smiles | [H]C1(CC2CCC1(CNC1=C(NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C1=O)C2(C)C)N1CCCC1 |
vial_code | NUJD034565 |
vial_size | 1_mL |
mw | 543.5444 |
alogp | 6.1072 |
hba | 2 |
hbd | 2 |
rb | 9 |
heavyatomcount | 38 |
chiralcentercount | 0 |
chiralcentercountallpossible | 3 |
ringcount | 5 |
psa | 61.44 |
estate | 111.835 |
mr | 134.4921 |
polar | 54.8 |
canvasuid | 6 |