SMILES:
C#CC(=O)OC1CCN(C)C(=O)N1c1nnc(C(C)(C)C)s1Molecular Processing
Molecular formula
C14H18N4O3S
Molecular weight
322.39
Exact mass
322.11
XLogP
1.6
TPSA
75.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
82.44
Supplementary Information
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