SMILES:
CCCCCCN(C(=O)Nc1ncc(SCC(=O)O)s1)c1cccc(NC(C)=O)c1Molecular Processing
Molecular formula
C20H26N4O4S2
Molecular weight
450.59
Exact mass
450.1395
XLogP
4.9
TPSA
111.63
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
121.73
Supplementary Information
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