Name: 3-amino-4-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide
SMILES:
CN(C)Cc1ccc(CSCCNC2=NS(=O)N=C2N)o1Molecular Processing
Molecular formula
C12H19N5O2S2
Molecular weight
329.45
Exact mass
329.098
XLogP
0.51
TPSA
96.22
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.46
Supplementary Information
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