SMILES:
COc1cc(S(C)=O)ccc1C1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1Molecular Processing
Molecular formula
C20H19N3O4S
Molecular weight
397.46
Exact mass
397.1096
XLogP
1.91
TPSA
97.52
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107.02
Supplementary Information
Obteniendo detalles…
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