COc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1OC
SMILES: COc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1OC

Molecular Processing

Molecular formula
C23H20N4O2S
Molecular weight
416.51
Exact mass
416.1307
XLogP
5.68
TPSA
60.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
121.37

Supplementary Information

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