SMILES:
COc1ccc(CSc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)cc1Molecular Processing
Molecular formula
C21H27N7OS
Molecular weight
425.56
Exact mass
425.1998
XLogP
3.3
TPSA
82.2
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
120.9
Supplementary Information
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