SMILES:
Cc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1Molecular Processing
Molecular formula
C26H27N3S
Molecular weight
413.59
Exact mass
413.1926
XLogP
5.64
TPSA
19.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
128.59
Supplementary Information
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