SMILES:
O=C(NCCN1CCOCC1)Nc1nc2ccc(S)cc2s1Molecular Processing
Molecular formula
C14H18N4O2S2
Molecular weight
338.46
Exact mass
338.0871
XLogP
2.04
TPSA
66.49
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
91.15
Supplementary Information
Details werden geladen…
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