Name: 6-[4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5-yl]-4-(methylsulfonyl)thieno[2,3-d]pyrimidine
SMILES:
COc1ccc(-c2ncn(C)c2-c2cc3c(S(C)(=O)=O)ncnc3s2)cc1Molecular Processing
Molecular formula
C18H16N4O3S2
Molecular weight
400.49
Exact mass
400.0664
XLogP
3.17
TPSA
86.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
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
0.167
Molar refractivity
104.71
Supplementary Information
Details werden geladen…
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