SMILES:
c1ccc(OCCSCc2nnc(-c3ccc(OCCN4CCCC4)cc3)o2)cc1Molecular Processing
Molecular formula
C23H27N3O3S
Molecular weight
425.55
Exact mass
425.1773
XLogP
4.52
TPSA
60.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
119
Supplementary Information
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