CN1CCN(CC1)C(=O)C2=CSC(=N2)N3CC(C3)OS(=O)(=O)C
الاسم: [1-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate
SMILES: CN1CCN(CC1)C(=O)C2=CSC(=N2)N3CC(C3)OS(=O)(=O)C

Molecular 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

InChIKey: XQNKBIYHYGBAIQ-UHFFFAOYSA-N
مرادفات
SCHEMBL5724532XQNKBIYHYGBAIQ-UHFFFAOYSA-N3-methanesulfonyloxy-1-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]azetidine
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