SMILES:
CCC(=O)Nc1ccc(Sc2nc(CO)cc(Nc3cc(C)n[nH]3)n2)cc1Molecular Processing
Molecular formula
C18H20N6O2S
Molecular weight
384.47
Exact mass
384.1368
XLogP
3.24
TPSA
115.82
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
104.05
Supplementary Information
Details werden geladen…
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