Name: 1-(4-(4-methoxybenzylthio)-5-bromopyridin-2-yl)-3-benzoylthiourea
SMILES:
COc1ccc(CSc2cc(NC(=S)NC(=O)c3ccccc3)ncc2Br)cc1Molecular Processing
Molecular formula
C21H18BrN3O2S2
Molecular weight
488.43
Exact mass
487.0024
XLogP
5.27
TPSA
63.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
124.62
Supplementary Information
Details werden geladen…
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