Name: 1-(4-(4-methoxybenzylthio)-5-bromopyridin-2-yl)thiourea
SMILES:
COc1ccc(CSc2cc(NC(N)=S)ncc2Br)cc1Molecular Processing
Molecular formula
C14H14BrN3OS2
Molecular weight
384.32
Exact mass
382.9762
XLogP
3.8
TPSA
60.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
94.9
Supplementary Information
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