SMILES:
CSc1nccc(OCC(C)CN2CCN(c3cc(C4CCC4)nc(C(C)(C)C)n3)CC2)n1Molecular Processing
Molecular formula
C25H38N6OS
Molecular weight
470.69
Exact mass
470.2828
XLogP
4.39
TPSA
67.27
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
134.45
Supplementary Information
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