SMILES:
CCCC(CC)OC(=O)n1c(-c2cscn2)nc2ccccc21Molecular Processing
Molecular formula
C17H19N3O2S
Molecular weight
329.43
Exact mass
329.1198
XLogP
4.72
TPSA
57.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
91.71
Supplementary Information
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