SMILES:
CCC1SC(=O)N(CCCN2CCOCC2)N=C1c1ccc(OCF)c(OC)c1Molecular Processing
Molecular formula
C20H28FN3O4S
Molecular weight
425.53
Exact mass
425.1785
XLogP
3.37
TPSA
63.6
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
111.78
Supplementary Information
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