이름: tert-butyl 4-[3-(3-thienyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccsc3)ns2)CC1Molecular Processing
Molecular formula
C15H20N4O2S2
Molecular weight
352.49
Exact mass
352.1028
XLogP
3.32
TPSA
58.56
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
23
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
0.533
Molar refractivity
93.24
Supplementary Information
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