Nombre: 1,1-dimethylethyl (6-{[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)carbamate
SMILES:
CN1CCN(c2ccc3nnc(Sc4ccc5nc(NC(=O)OC(C)(C)C)sc5c4)n3n2)CC1Molecular Processing
Molecular formula
C22H26N8O2S2
Molecular weight
498.64
Exact mass
498.162
XLogP
3.98
TPSA
100.78
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
134.09
Supplementary Information
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