SMILES:
CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1.ClMolecular Processing
Molecular formula
C21H27ClN4O5S
Molecular weight
482.99
Exact mass
482.1391
XLogP
2.07
TPSA
114.71
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
125.59
Supplementary Information
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