Name: 7-bromo-2,5-dimethyl-[1,3]oxazolo[4,5-c]pyridin-4-one
SMILES:
Cc1nc2c(=O)n(C)cc(-c3cc(S(C)(=O)=O)ccc3OCC3CC3)c2o1Molecular Processing
Molecular formula
C19H20N2O5S
Molecular weight
388.45
Exact mass
388.1093
XLogP
2.69
TPSA
91.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
100.75
Supplementary Information
Details werden geladen…
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