SMILES:
Cc1ccc2[nH]c(SCc3ccc(C)c(C)c3N)nc2c1Molecular Processing
Molecular formula
C17H19N3S
Molecular weight
297.43
Exact mass
297.13
XLogP
4.36
TPSA
54.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
90.72
Supplementary Information
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