SMILES:
C=CCOC(=O)c1ccc(SCC(NC(=O)OC(C)(C)C)C(=O)OC)c(N)c1Molecular Processing
Molecular formula
C19H26N2O6S
Molecular weight
410.49
Exact mass
410.1512
XLogP
2.77
TPSA
116.95
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
107.23
Supplementary Information
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