SMILES:
COc1cc(SC)ccc1C1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1Molecular Processing
Molecular formula
C20H19N3O3S
Molecular weight
381.46
Exact mass
381.1147
XLogP
2.89
TPSA
80.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.47
Supplementary Information
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