Name: 2-(5-bromo-2-chloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide
SMILES:
O=C(NC1CC1)c1cccc2sc(-c3nc(Cl)ncc3Br)cc12Molecular Processing
Molecular formula
C16H11BrClN3OS
Molecular weight
408.71
Exact mass
406.9495
XLogP
4.67
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
96.05
Supplementary Information
Details werden geladen…
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