SMILES:
Cc1ccc2c(-c3nnc(SCCN4CCc5cc6nc(C)oc6cc5CC4)n3C)cccc2n1Molecular Processing
Molecular formula
C27H28N6OS
Molecular weight
484.63
Exact mass
484.2045
XLogP
4.98
TPSA
72.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
139.79
Supplementary Information
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