Name: 3-amino-4-{2-[(5-dimethylaminomethyl-4-methyl-2-thienyl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide
SMILES:
Cc1cc(CSCCNC2=NS(=O)N=C2N)sc1CN(C)CMolecular Processing
Molecular formula
C13H21N5OS3
Molecular weight
359.55
Exact mass
359.0908
XLogP
1.29
TPSA
83.08
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
22
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
0.538
Molar refractivity
97.81
Supplementary Information
Details werden geladen…
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