Name: 2-Methyl-2-({4-[2-({6-[4-(trifluoromethoxy)phenyl]pyridazin-3-yl}amino)ethyl]-1,3-thiazol-2-yl}thio)propionic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ccc(-c3ccc(OC(F)(F)F)cc3)nn2)cs1Molecular Processing
Molecular formula
C24H27F3N4O3S2
Molecular weight
540.63
Exact mass
540.1477
XLogP
6.37
TPSA
86.23
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
134.24
Supplementary Information
Details werden geladen…
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