SMILES:
S=C(Nc1ccccc1)N1CCc2ccc(OCC3CCN(c4ccncc4)CC3)cc2C1Molecular Processing
Molecular formula
C27H30N4OS
Molecular weight
458.63
Exact mass
458.214
XLogP
5.13
TPSA
40.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
137.89
Supplementary Information
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