Name: 6-[4-(4-bromophenyl)-1-methyl-1H-imidazol-5-yl]4-(methylthio)thieno[2,3-d]pyrimidine
SMILES:
CSc1ncnc2sc(-c3c(-c4ccc(Br)cc4)ncn3C)cc12Molecular Processing
Molecular formula
C17H13BrN4S2
Molecular weight
417.36
Exact mass
415.9765
XLogP
5.24
TPSA
43.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
104.53
Supplementary Information
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