Name: 6-(4-iodo-1-methyl-1H-imidazol-5-yl)-4-(methylsulfonyl)thieno[2,3-d]pyrimidine
SMILES:
Cn1cnc(I)c1-c1cc2c(S(C)(=O)=O)ncnc2s1Molecular Processing
Molecular formula
C11H9IN4O2S2
Molecular weight
420.26
Exact mass
419.9212
XLogP
2.1
TPSA
77.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
85.44
Supplementary Information
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