SMILES:
Cc1cc(C)n(-c2ccc(Sc3cccc(C4(C#N)CCOCC4)c3)cc2)n1Molecular Processing
Molecular formula
C23H23N3OS
Molecular weight
389.52
Exact mass
389.1562
XLogP
5.21
TPSA
50.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
110.95
Supplementary Information
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