SMILES:
C=CCOC(=O)C=Cc1ccc(OCC=C)c(NC(=O)C2CC(SC(C)=O)CN2C(=O)OCC=C)c1Molecular Processing
Molecular formula
C26H30N2O7S
Molecular weight
514.6
Exact mass
514.1774
XLogP
3.98
TPSA
111.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
36
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
139.67
Supplementary Information
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