SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(N4CC(OC)C4)c3)nc12Molecular Processing
Molecular formula
C22H24N4O5S
Molecular weight
456.52
Exact mass
456.1467
XLogP
2.88
TPSA
95.04
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
120.88
Supplementary Information
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