이름: 3-methanesulfonyloxy-1-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]azetidine
SMILES:
CN1CCN(C(=O)c2csc(N3CC(OS(C)(=O)=O)C3)n2)CC1Molecular Processing
Molecular formula
C13H20N4O4S2
Molecular weight
360.46
Exact mass
360.0926
XLogP
-0.3
TPSA
83.05
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
87.44
Supplementary Information
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