SMILES:
CCN(CC)CCNc1cccc(Nc2ncc(C)c(-c3sc(SC)c(C#N)c3C3CCCCC3)n2)c1Molecular Processing
Molecular formula
C29H38N6S2
Molecular weight
534.8
Exact mass
534.2599
XLogP
7.65
TPSA
76.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
158.41
Supplementary Information
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