SMILES:
CCOc1cc(C2=NN(C(=O)c3sc(-c4cccnc4)nc3C)CCC2)ccc1OCMolecular Processing
Molecular formula
C23H24N4O3S
Molecular weight
436.54
Exact mass
436.1569
XLogP
4.56
TPSA
76.91
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
121.05
Supplementary Information
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