Name: 2-Methyl-2-({4-[2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}oxy)ethyl]-1,3-thiazol-2-yl}thio)propionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2cnn(-c3cccc(C(F)(F)F)c3)c2)cs1Molecular Processing
Molecular formula
C23H26F3N3O3S2
Molecular weight
513.61
Exact mass
513.1368
XLogP
6.18
TPSA
66.24
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
125.66
Supplementary Information
Details werden geladen…
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