SMILES:
Cc1nsc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cn3)cc(OC(C)CO)c2)n1Molecular Processing
Molecular formula
C22H23N5O5S
Molecular weight
469.52
Exact mass
469.142
XLogP
2.89
TPSA
126.77
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
121.05
Supplementary Information
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