SMILES:
CC1(C)C(=O)N(CCCCSc2ccncc2)C(=O)N1CCCCSc1ccncc1Molecular Processing
Molecular formula
C23H30N4O2S2
Molecular weight
458.65
Exact mass
458.181
XLogP
4.96
TPSA
66.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
126.28
Supplementary Information
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