SMILES:
CC(=O)N1CCc2ccc(N(CC3CCCC3)C(=O)Nc3ncc(SCC(=O)O)s3)cc21Molecular Processing
Molecular formula
C22H26N4O4S2
Molecular weight
474.61
Exact mass
474.1395
XLogP
4.46
TPSA
102.84
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
126.97
Supplementary Information
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