SMILES:
CC(=O)NCCSCC(CC(=O)OC1CCc2ccccc21)C(=O)c1cccnc1Molecular Processing
Molecular formula
C23H26N2O4S
Molecular weight
426.54
Exact mass
426.1613
XLogP
3.37
TPSA
85.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
116.28
Supplementary Information
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