SMILES:
CC(C)(Cn1cnc2c(Cl)nc3ccccc3c21)OCCS(C)(=O)=OMolecular Processing
Molecular formula
C17H20ClN3O3S
Molecular weight
381.89
Exact mass
381.0914
XLogP
3.08
TPSA
74.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
99.79
Supplementary Information
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