SMILES:
c1ccc(CNCc2ccc(CN(Cc3nccs3)C3CCCc4cccnc43)cc2)nc1Molecular Processing
Molecular formula
C27H29N5S
Molecular weight
455.63
Exact mass
455.2144
XLogP
5.3
TPSA
53.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
132.5
Supplementary Information
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