SMILES:
CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)C(N)=SMolecular Processing
Molecular formula
C21H37N3O2S3
Molecular weight
459.75
Exact mass
459.2048
XLogP
5.41
TPSA
68.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
128.72
Supplementary Information
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