SMILES:
CCN1CN(C)CN(c2nc3c(s2)C(=O)CCC3)C1=OMolecular Processing
Molecular formula
C13H18N4O2S
Molecular weight
294.38
Exact mass
294.115
XLogP
1.77
TPSA
56.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
77.13
Supplementary Information
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