SMILES:
CCC1CCCCN1N(C(C)=O)c1nc2cc3nc(N(C(C)=O)N4CCCCC4CC)sc3cc2s1Molecular Processing
Molecular formula
C26H36N6O2S2
Molecular weight
528.75
Exact mass
528.2341
XLogP
5.97
TPSA
72.88
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
148.39
Supplementary Information
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