SMILES:
COC(=O)c1nc2c(s1)C(C)(O)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2Molecular Processing
Molecular formula
C21H20N2O6S
Molecular weight
428.47
Exact mass
428.1042
XLogP
1.14
TPSA
109.19
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.04
Supplementary Information
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