SMILES:
COc1cc(OC)c2c(CN)ncc(Nc3nc(C)cs3)c2c1.ClMolecular Processing
Molecular formula
C16H19ClN4O2S
Molecular weight
366.87
Exact mass
366.0917
XLogP
3.64
TPSA
82.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
100.12
Supplementary Information
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