Name: 4-amino-3-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenoxymethyl]-thieno[3,2-c]pyridine-7-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnc(N)c2c(COc3cccc(-c4nnc(C)o4)c3)csc12Molecular Processing
Molecular formula
C20H18N4O4S
Molecular weight
410.46
Exact mass
410.1049
XLogP
3.99
TPSA
113.36
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
108.79
Supplementary Information
Details werden geladen…
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