SMILES:
Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1Molecular Processing
Molecular formula
C29H30N4O3S
Molecular weight
514.65
Exact mass
514.2039
XLogP
4.97
TPSA
74.86
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
147.02
Supplementary Information
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