SMILES:
Cc1nc2ccccc2nc1N1CC2CN(C(=O)c3ccccc3-c3cccs3)CC2C1Molecular Processing
Molecular formula
C26H24N4OS
Molecular weight
440.57
Exact mass
440.1671
XLogP
4.88
TPSA
49.33
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
129.13
Supplementary Information
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