이름: tert-butyl 4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3F)ns2)CC1Molecular Processing
Molecular formula
C17H21FN4O2S
Molecular weight
364.45
Exact mass
364.1369
XLogP
3.4
TPSA
58.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
95.32
Supplementary Information
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