SMILES:
COCC(=O)OC1CCN(C)C(=O)N1c1nnc(C2CC2)s1Molecular Processing
Molecular formula
C13H18N4O4S
Molecular weight
326.38
Exact mass
326.1049
XLogP
1.19
TPSA
84.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
78.76
Supplementary Information
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