SMILES:
Cc1cccc(CSC2=NC(c3ccccc3)C(c3ccccc3)N2)c1Molecular Processing
Molecular formula
C23H22N2S
Molecular weight
358.51
Exact mass
358.1504
XLogP
5.67
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
111.41
Supplementary Information
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