SMILES:
CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC(C)C)c3[nH]2)S1Molecular Processing
Molecular formula
C23H26N4O5S2
Molecular weight
502.62
Exact mass
502.1345
XLogP
3.54
TPSA
122.74
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
132.95
Supplementary Information
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