COc1ccc(N2C[C@@H]3C[C@H]2CO3)c2sc(NC(=O)c3ccnc(C)c3)nc12
SMILES: COc1ccc(N2C[C@@H]3C[C@H]2CO3)c2sc(NC(=O)c3ccnc(C)c3)nc12

Molecular Processing

Molecular formula
C20H20N4O3S
Molecular weight
396.47
Exact mass
396.1256
XLogP
3.24
TPSA
76.58
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
108.59

Supplementary Information

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