SMILES:
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)[C@@H](CCc2ccoc2)C1Molecular Processing
Molecular formula
C23H26N4OS
Molecular weight
406.56
Exact mass
406.1827
XLogP
5.03
TPSA
44.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
120
Supplementary Information
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