SMILES:
CC(C)(C)OC(=O)NC1CCc2nc(NC(=O)OCc3ccccc3)sc2C1Molecular Processing
Molecular formula
C20H25N3O4S
Molecular weight
403.5
Exact mass
403.1566
XLogP
4.27
TPSA
89.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
107.55
Supplementary Information
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