SMILES:
COC(=O)CCc1nc(-c2ccc(C3CCN(C(=N)N)CC3)cc2)cs1Molecular Processing
Molecular formula
C19H24N4O2S
Molecular weight
372.49
Exact mass
372.162
XLogP
2.99
TPSA
92.3
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
103.35
Supplementary Information
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