SMILES:
CNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1Molecular Processing
Molecular formula
C26H28N4S
Molecular weight
428.61
Exact mass
428.2035
XLogP
5.37
TPSA
31.4
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
133.4
Supplementary Information
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