Name: 5′-bromo-4-methoxy-5″-methyldispiro[cyclohexane-1,2′-[1]benzofuran-3′,2″-imidazole]-4″(3″H)-thione
SMILES:
COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(=S)N1Molecular Processing
Molecular formula
C17H19BrN2O2S
Molecular weight
395.32
Exact mass
394.0351
XLogP
3.71
TPSA
42.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
97.29
Supplementary Information
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